data_1yx0_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 1yx0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.51 0.195 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -164.48 109.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.57 ' HB ' ' CD2' ' A' ' 94' ' ' HIS . 1.6 mp -118.36 136.99 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -127.17 176.52 7.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.7 mt -110.78 110.81 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -109.7 136.44 49.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -121.72 103.33 8.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 43.02 75.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -169.01 143.65 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.45 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.75 114.68 3.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -66.88 -53.99 26.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.5 -32.22 73.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.516 HG22 ' CH2' ' A' ' 52' ' ' TRP . 15.0 t -73.74 -48.97 37.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 t -67.14 -39.27 82.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -60.03 -44.99 94.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.028 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.96 -44.25 96.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.509 HG11 ' CZ ' ' A' ' 48' ' ' PHE . 3.8 t -66.32 -23.39 31.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -83.63 -66.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 2.9 pt-20 -177.91 105.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -92.49 -57.28 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.576 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.536 HD23 ' CE2' ' A' ' 48' ' ' PHE . 3.6 mp . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -85.75 62.7 7.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.91 -174.45 14.07 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 176.37 10.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 39.09 46.61 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.251 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.9 mm -130.62 139.2 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.534 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 45.4 m -137.19 131.21 32.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.536 ' CE2' HD23 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.03 124.2 49.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.567 ' CH2' HD22 ' A' ' 63' ' ' LEU . 8.8 m-90 -98.45 130.18 45.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.011 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -100.62 157.94 16.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.51 116.32 16.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.516 ' CH2' HG22 ' A' ' 13' ' ' VAL . 11.7 m95 -115.6 118.73 33.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.47 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 4.6 tt0 -111.34 76.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.74 -131.42 9.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.97 -10.41 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.255 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.88 161.59 19.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -67.53 144.4 55.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.491 ' O ' ' CG2' ' A' ' 87' ' ' VAL . . . -103.33 -32.33 9.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.426 ' N ' HD23 ' A' ' 57' ' ' LEU . . . 163.86 -169.73 38.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.23 -175.11 4.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.39 151.15 11.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.86 153.7 26.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.567 HD22 ' CH2' ' A' ' 49' ' ' TRP . 3.2 tt -155.98 126.68 6.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.87 136.89 51.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.51 144.48 54.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mp -126.27 -67.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.14 -176.53 3.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 t -65.8 -29.44 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -140.21 35.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -133.99 133.39 41.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.598 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.91 155.36 21.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.28 141.03 35.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.408 HG12 ' CG2' ' A' ' 95' ' ' ILE . 2.9 mp -118.47 144.4 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -150.24 65.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER 165.72 136.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.458 ' HE2' ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER 174.97 130.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -115.74 157.05 24.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.421 ' O ' ' CB ' ' A' ' 79' ' ' SER . 93.5 m -153.77 159.79 42.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.395 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 78' ' ' THR . 0.6 OUTLIER 80.31 -68.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.026 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 56.69 -155.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.41 -65.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 172.48 72.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.631 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 pp -130.59 150.43 51.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.28 132.87 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 tttt 178.26 -65.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.94 58.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 49.1 t -48.29 -60.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.98 -40.97 70.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -59.33 -44.55 92.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.72 -50.57 72.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.69 -54.95 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.56 HD22 ' CD1' ' A' ' 127' ' ' PHE . 13.2 tp -47.03 -33.03 4.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -43.27 87.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.57 ' CD2' ' HB ' ' A' ' 3' ' ' ILE . 10.8 t-80 -69.96 -33.14 71.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.408 ' CG2' HG12 ' A' ' 73' ' ' ILE . 27.6 mm -60.85 -50.87 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.561 HD12 ' CE2' ' A' ' 127' ' ' PHE . 65.9 mt -67.92 -43.16 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.78 -48.09 83.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -54.65 -44.92 73.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.466 ' HB3' ' CG ' ' A' ' 104' ' ' TYR . . . -70.78 -30.86 67.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -46.12 88.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -50.77 72.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -57.61 -42.36 83.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.84 49.68 0.72 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.466 ' CG ' ' HB3' ' A' ' 99' ' ' ALA . 3.3 m-85 -89.48 163.06 15.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -136.13 11.31 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.59 150.65 19.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.55 129.82 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.8 m -100.94 167.23 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.563 HD11 ' CD1' ' A' ' 124' ' ' TYR . 2.2 pt? -158.15 162.76 37.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 11.9 pt-20 -105.05 109.64 21.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.6 p -126.27 -167.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.05 -94.23 0.11 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.405 ' O ' ' OG ' ' A' ' 113' ' ' SER . 21.7 p -179.19 80.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.539 ' HA ' ' CE ' ' A' ' 114' ' ' MET . 0.2 OUTLIER -136.08 173.9 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.14 -36.2 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.34 -25.85 46.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' GLU . 6.1 m-30 -94.96 -32.46 13.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 114' ' ' MET . 0.8 OUTLIER -37.64 -53.84 2.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -75.03 -37.48 1.99 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.81 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.9 -43.52 69.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -64.72 -32.99 74.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -35.62 65.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.422 ' CD1' HD22 ' A' ' 92' ' ' LEU . 2.3 tm? -63.21 -45.52 91.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.563 ' CD1' HD11 ' A' ' 109' ' ' LEU . 34.3 m-85 -63.6 -50.92 67.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.456 ' CG ' ' HE3' ' A' ' 147' ' ' MET . 1.4 mm-40 -58.68 -21.64 55.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.0 t -85.06 -12.34 53.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.561 ' CE2' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -98.5 -17.07 18.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 115.34 55.11 0.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 9.7 m-85 -114.33 131.63 56.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 0.755 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -116.81 150.46 38.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -58.78 148.77 28.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.15 -168.23 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.73 140.73 97.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.483 ' HB3' ' CG ' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -75.03 159.34 41.37 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.488 1.783 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.491 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 8.8 t80 -161.43 -88.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 39.79 -156.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -101.76 39.1 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -154.15 -177.44 6.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -115.82 159.47 13.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.56 170.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -171.84 165.61 4.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -22.8 14.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -124.58 62.23 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.0 m -158.07 128.96 6.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.961 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 2.8 m -115.69 147.34 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.483 ' CG ' ' HB3' ' A' ' 134' ' ' PRO . 16.9 m-85 -139.0 153.86 48.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.456 ' HE3' ' CG ' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -151.83 174.21 13.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.3 t -139.1 151.25 46.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -98.72 124.23 43.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -108.0 114.44 28.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.506 ' O ' ' CD2' ' A' ' 2' ' ' HIS . 2.6 mmt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.504 0.192 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 1' ' ' MET . 6.5 m170 -165.08 108.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.569 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.509 HG23 ' CG ' ' A' ' 94' ' ' HIS . 18.4 mm -119.33 137.13 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -144.97 176.31 9.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.567 HG12 ' CD1' ' A' ' 49' ' ' TRP . 16.3 mt -108.35 133.53 53.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -115.9 126.68 54.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -123.3 105.3 9.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp 65.58 -77.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' ASP . 1.0 OUTLIER -39.69 137.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.13 90.67 0.97 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.147 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -56.0 26.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 0.0 110.32 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -60.98 -31.16 70.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.423 ' CG2' ' CH2' ' A' ' 52' ' ' TRP . 25.1 t -73.38 -52.93 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -63.15 -42.0 94.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.4 m -57.14 -39.65 75.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.952 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.78 -36.15 78.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.467 HG22 ' CE1' ' A' ' 48' ' ' PHE . 92.5 t -77.47 -24.02 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -87.91 0.02 56.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.515 ' CG ' ' NH1' ' A' ' 77' ' ' ARG . 1.9 mt-10 68.47 85.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -93.28 -45.28 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.74 65.38 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.62 -174.18 26.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.29 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.78 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -41.06 -50.09 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.4 mt -100.82 136.4 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.601 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 86.1 m -97.36 140.08 32.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.389 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -117.6 130.53 56.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.681 ' CZ3' ' CD2' ' A' ' 63' ' ' LEU . 10.3 m-90 -111.63 133.98 53.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 107.994 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.4 m -136.28 128.26 29.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.5 ' CB ' ' CD1' ' A' ' 3' ' ' ILE . . . -86.51 136.06 33.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.423 ' CH2' ' CG2' ' A' ' 13' ' ' VAL . 5.5 m95 -120.8 122.19 39.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 107.99 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -131.33 80.69 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.52 -130.02 6.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.0 -12.28 16.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -124.21 160.21 28.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.96 138.32 57.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.5 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -87.83 -34.15 18.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.428 ' N ' ' CD2' ' A' ' 57' ' ' LEU . . . -171.24 -179.62 42.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.147 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.4 m -143.39 174.8 10.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 166.47 154.91 8.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -144.9 172.64 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.681 ' CD2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 pp -161.9 134.24 5.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.69 135.7 49.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -48.41 147.81 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.455 ' CD1' ' HG3' ' A' ' 72' ' ' GLU . 7.0 mt -138.6 -86.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -109.49 -172.83 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.3 p -73.45 -18.58 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -146.45 21.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 3.5 t60 -124.4 141.61 51.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.619 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.78 164.87 26.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.455 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 11.0 mt-10 -141.71 142.0 33.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 110.303 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.87 123.8 63.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.446 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -121.2 38.12 4.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.3 t -168.36 113.53 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.58 100.4 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.515 ' NH1' ' CG ' ' A' ' 19' ' ' GLU . 3.9 tpt180 -120.35 117.5 27.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 m -99.51 177.6 5.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.365 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.9 t 61.55 86.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.01 -72.69 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 p -155.15 36.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 71.73 102.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.589 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 tt -141.22 153.63 45.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -118.8 96.95 5.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -179.85 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 145.86 84.39 0.06 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 6.6 t -60.57 -60.93 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 0.731 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.05 -31.88 70.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.54 -43.95 88.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -56.93 -45.76 82.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.2 t -75.07 -43.38 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.566 HD22 ' CD2' ' A' ' 127' ' ' PHE . 21.8 tp -58.29 -55.21 37.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -39.35 75.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.509 ' CG ' HG23 ' A' ' 3' ' ' ILE . 2.1 t60 -68.59 -46.55 69.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.547 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.2 mt -54.48 -48.58 69.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.664 ' CD1' ' CE1' ' A' ' 127' ' ' PHE . 96.3 mt -57.99 -44.12 86.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -40.69 96.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.442 ' HG2' ' CE1' ' A' ' 94' ' ' HIS . 15.5 mm-40 -55.69 -49.11 73.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.549 ' HB3' ' CD2' ' A' ' 104' ' ' TYR . . . -66.72 -35.74 80.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -39.14 86.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -40.9 69.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -39.68 29.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.63 53.16 0.68 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.549 ' CD2' ' HB3' ' A' ' 99' ' ' ALA . 4.9 m-85 -74.48 163.32 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.6 7.65 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.06 154.0 19.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.42 122.42 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.0 m -108.88 156.35 19.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.985 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.568 ' CD2' ' CE1' ' A' ' 129' ' ' PHE . 0.7 OUTLIER -136.91 172.39 13.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -104.56 106.92 17.6 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 145' ' ' VAL . 9.8 t -154.6 124.93 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -126.31 28.14 4.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 m 59.06 51.57 7.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.031 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -93.93 148.02 22.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.948 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.63 -35.37 60.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 20.1 m -70.36 -46.24 64.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -107.19 41.7 1.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.48 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 1.6 mt-10 -69.03 -56.06 9.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -75.01 -18.22 18.88 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.21 68.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.545 ' HA ' ' CD2' ' A' ' 124' ' ' TYR . 6.5 ptt-85 -66.12 -32.12 73.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 2.1 mtpt -65.36 -37.26 86.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.97 -30.65 71.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.545 ' CD2' ' HA ' ' A' ' 121' ' ' ARG . 12.8 m-30 -73.92 -50.04 21.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.425 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 12.5 mt-10 -51.31 -39.16 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -11.52 42.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.664 ' CE1' ' CD1' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -96.45 -17.31 20.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 120.49 -7.29 11.39 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.568 ' CE1' ' CD2' ' A' ' 109' ' ' LEU . 9.8 m-85 -53.8 131.21 39.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.93 151.4 41.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -61.2 139.73 58.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.45 -174.2 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.93 151.91 0.49 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.548 ' HB3' ' CD2' ' A' ' 146' ' ' PHE . 18.2 Cg_endo -74.97 120.36 6.04 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -114.54 -172.17 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . 67.69 172.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -51.29 -31.85 22.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -66.36 154.03 41.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -151.35 -150.11 5.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -42.21 163.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.51 172.3 0.44 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.11 7.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -157.49 82.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.5 p -140.79 139.12 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.585 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 3.1 m -111.37 175.74 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 145' ' ' VAL . 90.4 m-85 -163.71 150.65 12.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.425 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.2 OUTLIER -154.74 160.56 41.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 t -133.08 157.21 45.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 129' ' ' PHE . 3.5 tmtm? -114.91 141.0 48.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 149' ' ' LYS . 5.4 ttpp -113.33 122.01 46.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mtm . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.524 0.202 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -50.25 108.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.624 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.567 HG23 ' CD2' ' A' ' 94' ' ' HIS . 12.7 mm -118.81 124.83 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 3' ' ' ILE . 17.1 mttt -160.09 177.91 10.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.505 HG12 ' CD1' ' A' ' 49' ' ' TRP . 3.3 mt -100.81 140.71 19.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.41 ' N ' HG22 ' A' ' 5' ' ' ILE . 12.3 t70 -126.94 130.88 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -120.88 101.03 7.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp 40.31 81.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 m -161.67 98.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.46 117.14 3.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -49.4 -40.82 37.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 0.728 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -59.22 -34.29 72.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.0 -43.24 67.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.9 t -68.38 -49.77 63.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -33.3 32.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mp -65.49 -39.55 92.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.453 HG23 ' CZ ' ' A' ' 48' ' ' PHE . 43.6 t -74.57 -39.25 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -65.12 -15.25 62.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 47.79 95.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -91.44 -53.22 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.579 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.411 HD22 ' CB ' ' A' ' 62' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.18 83.3 2.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.67 156.26 24.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -13.23 21.43 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.454 1.765 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.04 50.46 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.9 mm -115.47 136.41 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.6 ' CG2' ' CH2' ' A' ' 49' ' ' TRP . 52.8 m -121.74 137.32 54.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -121.48 123.61 42.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.979 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.6 ' CH2' ' CG2' ' A' ' 47' ' ' THR . 10.4 m-90 -98.28 147.49 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 107.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 m -140.65 135.76 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.487 ' O ' ' CB ' ' A' ' 58' ' ' ALA . . . -106.03 131.87 52.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.559 ' CZ3' HD13 ' A' ' 57' ' ' LEU . 3.2 m95 -115.55 128.31 55.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 107.985 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.419 ' N ' ' HB3' ' A' ' 58' ' ' ALA . 6.4 tt0 -135.54 76.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.84 -132.18 10.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.59 1.181 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -108.98 7.37 25.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.575 ' OE2' ' CE1' ' A' ' 82' ' ' HIS . 4.7 pt-20 -125.82 164.05 21.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.559 HD13 ' CZ3' ' A' ' 52' ' ' TRP . 3.4 mm? -67.79 119.96 13.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.502 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -73.57 -42.17 61.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.24 -174.06 46.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.8 p -150.85 161.71 42.16 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.463 ' HA3' ' CG1' ' A' ' 91' ' ' VAL . . . -163.07 176.4 39.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.411 ' CB ' HD22 ' A' ' 41' ' ' LEU . . . -158.89 147.96 18.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.555 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -155.94 115.12 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -104.77 136.03 45.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -59.58 142.33 52.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.42 -58.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -118.88 177.65 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -53.73 -32.89 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.441 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -142.09 44.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.46 ' CE1' ' OG ' ' A' ' 108' ' ' SER . 12.4 t-80 -138.26 139.96 39.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.98 150.91 20.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -133.43 135.56 44.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 0.783 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.1 mp -93.15 146.93 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.73 43.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.2 t -164.79 120.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -155.66 64.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.435 ' NH1' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -122.16 134.94 54.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 96.5 m -87.45 149.29 24.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.1 t -53.54 -58.36 7.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -154.44 -167.87 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.11 63.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.575 ' CE1' ' OE2' ' A' ' 56' ' ' GLU . 25.0 m-70 -93.33 -173.78 3.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.596 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -62.06 159.32 14.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 153.46 19.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.31 59.16 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.17 -49.2 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.152 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 23.7 t -69.8 -61.05 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' A' ' 123' ' ' LEU . . . -70.61 -33.54 71.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -45.22 92.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -50.51 72.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG1' ' HA3' ' A' ' 61' ' ' GLY . 67.7 t -66.37 -41.18 88.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.13 -50.91 71.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -32.77 69.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.567 ' CD2' HG23 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -70.02 -54.77 11.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.592 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.5 mt -53.34 -46.52 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.529 HD13 ' CZ ' ' A' ' 127' ' ' PHE . 46.2 mt -57.97 -52.85 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -41.41 79.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.549 ' HG3' ' CZ2' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -55.46 -44.96 76.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.34 -30.86 66.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.49 -47.44 55.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -31.17 71.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.404 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -81.52 -42.69 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.17 57.01 1.52 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.459 ' HB2' ' CD1' ' A' ' 151' ' ' LEU . 7.0 m-30 -79.15 178.48 8.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -97.83 -38.31 9.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -163.03 156.03 19.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mt -114.82 123.06 48.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.46 ' OG ' ' CE1' ' A' ' 70' ' ' HIS . 32.1 m -100.96 164.88 11.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.554 HD22 ' CD1' ' A' ' 124' ' ' TYR . 2.4 pp -159.59 147.63 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -104.67 103.06 12.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.8 t -112.33 -45.69 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 41.77 28.57 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.409 ' HA ' ' NH1' ' A' ' 121' ' ' ARG . 1.2 p 52.55 34.68 16.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 0.74 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -76.34 154.03 35.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.71 -30.31 71.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -77.07 -24.63 51.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.057 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -120.09 25.81 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.7 mt-10 -65.99 -50.7 50.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -75.03 -29.84 7.75 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' A' ' 124' ' ' TYR . . . -58.35 -47.41 83.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.504 ' HD2' ' CZ ' ' A' ' 131' ' ' TYR . 21.7 ttp-105 -63.0 -38.53 91.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -72.89 -32.75 65.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.458 ' CD1' ' HB1' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -77.39 -28.74 52.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.554 ' CD1' HD22 ' A' ' 109' ' ' LEU . 3.8 m-85 -73.81 -52.57 12.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.423 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.0 OUTLIER -57.03 -29.51 63.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.35 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.1 t -70.09 -14.87 62.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.529 ' CZ ' HD13 ' A' ' 96' ' ' ILE . 13.9 t80 -99.25 -17.27 18.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 133.99 -34.33 2.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.608 ' CZ ' ' CB ' ' A' ' 149' ' ' LYS . 4.3 m-85 -36.95 141.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -131.2 163.78 26.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.504 ' CZ ' ' HD2' ' A' ' 121' ' ' ARG . 6.0 m-85 -70.32 143.75 51.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.2 m -147.76 -178.38 6.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.452 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 4.0 mt-10 -57.09 168.17 0.95 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.69 30.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.461 ' HB3' ' CE2' ' A' ' 146' ' ' PHE . 32.8 t80 -173.71 -44.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -41.34 -68.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.28 26.28 2.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 50.44 -174.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 40.42 -154.4 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.12 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.1 173.49 9.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -133.22 116.14 14.19 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.08 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -139.48 69.13 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.57 138.97 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.997 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.488 HG23 ' CE2' ' A' ' 131' ' ' TYR . 29.6 m -116.95 143.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 135' ' ' PHE . 35.9 t80 -98.42 166.91 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.423 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 1.9 ttt -147.75 135.2 20.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.3 t -139.05 157.14 46.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.608 ' CB ' ' CZ ' ' A' ' 129' ' ' PHE . 6.2 tmtm? -135.87 152.26 50.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -114.02 115.37 27.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 104' ' ' TYR . 27.5 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.531 0.205 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.27 109.08 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.579 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.464 ' CG2' ' CD2' ' A' ' 94' ' ' HIS . 2.9 mt -104.1 131.72 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.64 176.15 10.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.526 HG13 ' CD1' ' A' ' 49' ' ' TRP . 5.3 mp -74.47 139.35 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -110.79 127.22 55.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.88 114.97 19.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 68.4 -78.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 m -38.56 151.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.424 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.83 84.15 1.64 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -54.95 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -34.6 68.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.566 HG22 ' CH2' ' A' ' 52' ' ' TRP . 42.6 t -74.78 -42.23 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 t -67.22 -52.35 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.47 -35.03 38.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 tt -64.84 -36.99 86.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.0 -39.92 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -59.14 -69.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.95 69.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -87.1 -54.02 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.585 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -90.14 57.79 3.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.12 153.29 20.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 53.44 3.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -178.52 51.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 64' ' ' LYS . 16.1 mm -138.44 131.49 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.499 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 16.0 m -107.27 127.87 53.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.416 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -109.29 117.61 34.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.612 ' CH2' ' CD2' ' A' ' 63' ' ' LEU . 10.5 m-90 -89.89 141.42 28.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -129.28 156.35 44.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.402 ' CB ' HD11 ' A' ' 3' ' ' ILE . . . -129.57 121.28 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 57' ' ' LEU . 5.5 m95 -112.34 126.59 55.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 58' ' ' ALA . 1.1 tt0 -124.15 77.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.55 -133.42 10.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.29 -15.18 23.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.36 148.37 43.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -54.85 150.08 10.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 53' ' ' GLU . . . -99.9 -26.39 14.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.42 ' N ' HD23 ' A' ' 57' ' ' LEU . . . 172.39 -170.28 43.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.3 p -146.96 162.08 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' TRP . . . -163.65 161.65 34.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.416 ' HB1' ' CE1' ' A' ' 48' ' ' PHE . . . -132.76 159.47 39.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.612 ' CD2' ' CH2' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -160.31 123.36 3.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.462 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 9.1 tttp -117.54 133.31 56.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -64.39 139.3 58.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.37 -84.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.442 ' OD2' ' N ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -93.36 179.79 5.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.6 p -61.94 -27.53 68.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.55 43.81 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -150.89 147.98 27.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.619 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -156.75 167.51 33.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.495 ' O ' ' CE ' ' A' ' 74' ' ' LYS . 15.0 tt0 -142.18 138.98 31.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.753 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.7 mp -90.63 145.01 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.495 ' CE ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -118.84 -91.71 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -51.96 126.2 17.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.483 ' CG ' ' O ' ' A' ' 76' ' ' MET . 0.7 OUTLIER 173.81 75.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -152.61 161.13 43.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -161.42 142.95 11.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.1 69.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -134.2 -72.35 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.71 -41.42 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.028 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 66.77 93.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 84' ' ' ARG . 3.1 tm? -76.78 154.17 34.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.535 ' N ' ' CD1' ' A' ' 83' ' ' LEU . 2.5 ptt180 -94.58 96.92 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -174.79 -63.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 156.95 66.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 t -61.6 -61.03 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.24 -31.89 72.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -66.52 -41.07 89.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 0.3 OUTLIER -61.66 -54.59 40.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.5 t -57.72 -52.33 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.475 ' HB3' ' CE2' ' A' ' 127' ' ' PHE . 5.6 tt -50.24 -46.42 54.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -47.3 81.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.464 ' CD2' ' CG2' ' A' ' 3' ' ' ILE . 5.1 t60 -61.83 -41.68 98.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.575 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.6 mm -53.52 -50.12 51.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.457 HD11 ' CD2' ' A' ' 92' ' ' LEU . 70.3 mt -64.22 -49.26 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -37.47 71.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.51 ' HG3' ' CE2' ' A' ' 49' ' ' TRP . 3.1 tm-20 -62.32 -50.86 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.65 -30.76 71.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.29 -37.11 80.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -74.11 -24.42 59.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -90.04 -28.42 19.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.18 57.87 4.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -83.27 174.0 11.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -89.72 -37.33 14.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -162.88 160.47 25.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.7 mt -114.36 118.14 33.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 82.9 p -103.19 158.78 16.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' ' 124' ' ' TYR . 4.3 pp -175.61 173.03 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.19 116.97 33.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.8 t -160.59 112.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.379 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -98.91 -122.51 4.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.1 m -143.52 16.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.789 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -52.85 148.98 6.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.45 -34.17 56.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.87 -38.8 57.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -107.38 37.77 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.6 mt-10 -73.21 -52.52 5.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.97 -13.64 21.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.51 69.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 20.1 ptt-85 -71.56 -36.54 70.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.5 OUTLIER -67.75 -35.3 78.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.334 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 119' ' ' PRO . 13.1 tp -61.62 -45.06 95.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.569 ' CE2' HD13 ' A' ' 109' ' ' LEU . 14.3 m-85 -62.23 -44.14 97.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.44 ' CD ' ' CE ' ' A' ' 147' ' ' MET . 1.7 mm-40 -59.84 -33.18 71.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.0 t -82.17 -23.99 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -91.85 -16.84 26.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 124' ' ' TYR . . . 106.65 96.4 2.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 1.4 m-85 -151.75 160.26 43.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -106.33 156.81 18.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -111.69 118.64 36.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 111.045 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 45.1 m -151.9 179.75 8.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.284 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -54.62 166.82 0.67 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.488 ' HA ' ' CG ' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -75.02 138.43 22.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 136' ' ' ALA . 39.0 t80 -124.62 -44.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -39.08 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 138' ' ' TYR . 10.0 t0 -157.56 -55.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 137' ' ' ASP . 8.0 m-85 -37.22 156.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.93 -151.4 5.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 111.066 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.19 161.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.297 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.42 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.4 OUTLIER 169.41 174.06 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . 0.421 ' O ' ' ND2' ' A' ' 143' ' ' ASN . 18.2 Cg_endo -75.05 -27.93 9.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 142' ' ' PRO . 12.3 m-80 -159.94 75.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.4 t -136.76 131.44 33.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 32.7 m -132.4 -177.34 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.515 ' CG ' ' N ' ' A' ' 147' ' ' MET . 27.4 t80 -143.84 167.1 23.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.515 ' N ' ' CG ' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -152.33 141.84 21.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.015 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.539 ' C ' ' CD2' ' A' ' 129' ' ' PHE . 1.7 t -137.96 152.32 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -105.96 130.1 53.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.1 111.89 24.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mmt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.503 0.192 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -165.18 107.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.607 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.569 HG22 ' CE1' ' A' ' 94' ' ' HIS . 11.7 mm -120.04 137.5 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -149.37 175.56 11.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.1 mt -109.34 140.63 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -119.0 121.99 41.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -124.73 101.89 7.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 7' ' ' ASP . 0.6 OUTLIER 37.46 88.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -176.47 -37.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.2 70.43 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 15' ' ' SER . 10.9 ptt180 -48.69 -33.6 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -68.98 -36.12 77.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.568 HG21 ' CH2' ' A' ' 52' ' ' TRP . 8.4 t -75.37 -51.38 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.7 t -64.4 -30.82 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -50.85 -33.45 23.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.982 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 16' ' ' LEU . 2.8 mm? -62.95 -33.77 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.4 t -81.66 -31.22 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -77.99 -0.67 28.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 75.6 69.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -92.35 -42.58 9.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.661 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.404 HD22 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -158.54 28.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.1 -170.55 12.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.84 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.67 -31.65 48.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 64' ' ' LYS . 10.9 mm -98.98 158.79 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.569 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 18.3 m -144.37 125.91 14.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.382 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.404 ' CE1' HD22 ' A' ' 41' ' ' LEU . 3.6 m-85 -99.17 121.56 41.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.57 ' CZ3' ' HG ' ' A' ' 63' ' ' LEU . 12.0 m-90 -100.3 129.94 46.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 108.015 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.7 p -115.83 163.86 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.416 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -139.93 134.81 32.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.568 ' CH2' HG21 ' A' ' 13' ' ' VAL . 35.7 m95 -116.79 123.05 46.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 107.973 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.422 ' N ' ' HB3' ' A' ' 58' ' ' ALA . 45.8 tt0 -131.18 76.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.53 -127.73 6.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.27 -4.8 15.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -127.2 158.01 38.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.555 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -59.19 126.68 28.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.479 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -71.18 -40.33 71.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' HD21 ' A' ' 57' ' ' LEU . . . 169.1 -158.29 30.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 t -157.85 177.03 11.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -159.71 -175.06 30.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -158.82 124.9 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.57 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -138.8 119.33 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.44 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 7.4 ttpp -105.33 146.68 29.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.64 140.07 58.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.68 -68.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -126.36 -174.97 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -70.85 -29.85 66.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 ptt-85 -134.2 32.88 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -142.76 152.89 42.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.601 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -153.85 176.2 31.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.09 151.16 31.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 0.784 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.83 122.55 70.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.35 58.05 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.39 131.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.82 92.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -144.24 139.01 28.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 179.42 -40.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.385 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.78 100.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.83 12.66 9.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.62 18.83 7.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -115.14 -7.12 12.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.603 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.5 mt -138.8 147.23 42.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' LYS . 2.4 mmt180 -113.08 96.84 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER 40.37 88.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.64 -71.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 29.9 t -48.09 -60.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.14 -43.49 61.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -56.53 -44.08 80.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -59.0 -53.4 58.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.92 -54.09 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -46.22 31.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -39.48 82.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.569 ' CE1' HG22 ' A' ' 3' ' ' ILE . 25.9 t60 -72.21 -33.39 67.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.607 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.0 mm -57.35 -48.4 82.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.416 HD12 ' CE1' ' A' ' 127' ' ' PHE . 19.9 mt -70.41 -35.25 61.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -48.95 68.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.556 ' OE1' ' CE1' ' A' ' 94' ' ' HIS . 0.3 OUTLIER -55.27 -45.15 76.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.37 -31.11 66.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -49.23 48.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -23.41 60.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.82 -42.91 15.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.59 35.65 1.54 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -75.78 158.34 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.731 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.63 11.35 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -163.19 160.47 24.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.28 152.23 28.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 m -128.47 164.35 22.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.026 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.566 HD12 ' CE2' ' A' ' 124' ' ' TYR . 0.9 OUTLIER -166.5 161.5 16.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.26 110.93 23.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.444 ' CG2' ' HB2' ' A' ' 147' ' ' MET . 14.8 t -174.56 117.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . -135.15 37.05 1.98 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.57 1.169 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 1.5 m 92.65 -4.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.0 tpt -43.03 128.4 4.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.08 -50.33 64.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.0 m -52.29 -23.85 6.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -125.27 28.56 6.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.8 tt0 -58.59 -51.25 83.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.97 -23.91 13.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.544 1.813 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.35 -49.23 70.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 7.2 ttp-105 -62.59 -41.11 98.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.47 -29.02 66.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -76.85 -35.94 57.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.566 ' CE2' HD12 ' A' ' 109' ' ' LEU . 3.4 m-85 -65.98 -52.09 52.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.474 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.2 OUTLIER -60.72 -28.56 68.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.9 t -68.25 -14.06 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.416 ' CE1' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -98.25 -17.06 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.954 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.28 -32.53 2.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 28.3 m-85 -37.99 140.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -131.76 157.48 43.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.511 ' CE1' HG22 ' A' ' 145' ' ' VAL . 3.5 m-85 -67.35 146.94 53.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.61 178.7 9.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.585 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 1.8 mt-10 -46.1 151.01 0.97 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.46 42.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.53 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 3.8 t80 -177.34 -87.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.53 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 39.83 -99.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 135' ' ' PHE . 1.5 t70 -122.43 -48.8 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -88.73 -172.75 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -115.78 -164.85 14.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.97 166.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.413 ' CB ' ' HB2' ' A' ' 144' ' ' SER . 1.4 m-20 -174.51 161.54 2.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -33.17 4.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.546 1.814 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -131.6 67.92 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -163.13 129.04 3.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.951 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.511 HG22 ' CE1' ' A' ' 131' ' ' TYR . 2.4 m -121.05 -174.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 133' ' ' GLU . 91.9 t80 -139.81 162.31 35.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.474 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 1.4 ttt -135.53 138.18 42.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.1 t -134.35 157.27 46.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 5.6 tmtm? -116.84 125.22 51.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.16 105.9 15.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.511 0.196 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -164.75 109.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.587 ' CD1' ' CB ' ' A' ' 51' ' ' ALA . 25.5 mm -118.99 136.95 54.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -145.73 174.8 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.7 mt -111.19 135.68 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -126.29 127.75 46.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -124.21 117.0 23.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 71.48 -77.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -39.58 150.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.374 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.09 104.14 2.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -56.67 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.7 -32.68 72.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.57 HG21 ' CH2' ' A' ' 52' ' ' TRP . 71.8 t -70.89 -44.94 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.4 t -71.14 -47.08 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -51.58 -35.49 41.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -42.92 86.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.9 t -66.75 -40.83 86.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -60.6 -71.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.13 101.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -56.39 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -176.75 80.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.25 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.92 -171.48 35.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -46.87 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.538 1.81 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -55.44 -30.77 61.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.4 mm -99.16 128.27 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.479 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 90.4 m -111.85 135.27 52.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -113.8 119.33 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.557 ' CZ3' ' HB3' ' A' ' 63' ' ' LEU . 12.6 m-90 -97.06 133.75 41.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 108.054 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.3 m -122.04 124.62 44.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.587 ' CB ' ' CD1' ' A' ' 3' ' ' ILE . . . -99.92 126.49 46.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.57 ' CH2' HG21 ' A' ' 13' ' ' VAL . 6.8 m95 -116.17 119.66 36.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 108.017 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -126.39 76.96 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.02 -132.61 6.9 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.41 -12.04 16.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -120.37 164.61 16.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.496 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -65.45 132.38 48.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.492 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -82.67 -36.57 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.409 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 165.68 176.87 37.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -124.07 -170.38 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.59 144.87 7.13 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.92 118.87 36.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.557 ' HB3' ' CZ3' ' A' ' 49' ' ' TRP . 6.5 tt -129.87 117.22 19.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -125.86 129.17 48.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 129.73 43.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.12 -64.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.28 -173.97 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.7 p -65.84 -38.43 88.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.37 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -130.51 36.87 3.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -145.69 142.87 29.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.586 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.92 179.92 20.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.133 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -162.13 151.28 15.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.69 141.28 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.367 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.78 56.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.74 109.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.7 tpt -156.72 87.61 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.5 mmt-85 -138.95 160.15 40.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.1 p -100.17 -79.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.391 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.7 t 179.3 -37.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.67 -61.51 0.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 80.1 p -172.75 38.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -174.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.6 155.68 21.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.85 150.59 23.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.64 66.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.473 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . -174.38 -74.53 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.15 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 2.9 t -52.89 -60.99 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.63 -46.29 63.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -33.75 33.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 3.6 mm100 -66.44 -44.23 83.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.9 t -71.71 -49.09 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.542 ' HB3' ' CE1' ' A' ' 127' ' ' PHE . 0.4 OUTLIER -48.57 -52.68 21.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -44.4 77.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.533 ' CE1' HG21 ' A' ' 3' ' ' ILE . 40.3 t60 -65.1 -40.91 95.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 mp -59.35 -46.17 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.558 ' CD1' ' CE2' ' A' ' 127' ' ' PHE . 13.1 mt -68.08 -38.16 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -41.33 98.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.425 ' OE1' ' CD2' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -56.67 -46.16 81.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.71 -30.99 67.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.87 -48.62 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -52.51 42.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -42.93 81.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.06 74.53 1.24 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -90.72 -175.08 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -114.23 -31.72 6.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 149' ' ' LYS . 2.8 mpp_? -162.98 153.62 16.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.06 133.77 55.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.6 t -100.93 168.98 9.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.539 HD13 ' CE2' ' A' ' 124' ' ' TYR . 0.4 OUTLIER -164.68 154.51 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -104.72 103.14 12.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.5 p -99.13 -101.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . 111.68 -32.65 6.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 0.6 OUTLIER 89.99 34.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 109.976 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.483 ' HA ' ' CE ' ' A' ' 114' ' ' MET . 2.1 tpt -56.84 164.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.35 -45.84 68.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -16.96 59.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 117' ' ' PHE . 63.5 t80 -115.27 33.15 5.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.493 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.1 mt-10 -75.09 -51.85 3.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -75.0 -27.66 9.83 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.483 ' HB2' ' CD2' ' A' ' 117' ' ' PHE . . . -55.46 -49.55 72.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -63.78 -39.28 93.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.39 -25.07 67.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -34.76 59.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.539 ' CE2' HD13 ' A' ' 109' ' ' LEU . 9.5 m-85 -67.59 -52.28 40.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.485 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.2 pp20? -59.59 -27.62 66.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.3 t -79.83 -10.82 59.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.558 ' CE2' ' CD1' ' A' ' 96' ' ' ILE . 1.9 t80 -92.02 -17.12 25.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 134.93 -21.38 3.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 20.8 m-85 -55.34 140.03 40.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -127.3 149.45 50.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -58.95 137.88 57.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 2.2 m -161.69 174.53 13.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.297 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.8 132.77 2.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.566 ' HB3' ' CD1' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -75.01 155.87 42.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.41 ' O ' ' CD2' ' A' ' 138' ' ' TYR . 82.1 m-85 -129.01 -45.93 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -46.21 -63.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.47 -20.33 16.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.41 ' CD2' ' O ' ' A' ' 135' ' ' PHE . 0.7 OUTLIER 57.4 158.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 60.73 152.03 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.71 174.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.439 ' CB ' ' HB2' ' A' ' 144' ' ' SER . 5.6 m-20 -159.17 152.96 19.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -14.4 21.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -169.35 88.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' SER . . . . . 0.439 ' HB2' ' CB ' ' A' ' 141' ' ' ASP . 0.6 OUTLIER -173.2 137.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 30.2 m -104.93 165.87 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 134' ' ' PRO . 0.8 OUTLIER -166.78 145.11 5.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.485 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -157.08 157.53 34.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.0 t -125.79 157.03 38.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 36.7 tptt -96.46 144.69 26.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -108.26 106.38 16.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.222 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 mtt . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.499 0.19 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -148.37 145.2 27.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.605 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.523 HG23 ' CG ' ' A' ' 94' ' ' HIS . 3.9 mt -90.33 128.72 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.48 176.92 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.532 HG13 ' CD1' ' A' ' 49' ' ' TRP . 2.1 mp -81.71 120.86 34.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -124.53 152.85 42.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 8' ' ' LEU . 5.2 t0 -124.04 100.93 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' ASP . 3.8 mp 40.25 88.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -145.86 98.75 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.83 117.02 4.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -47.81 68.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -57.89 -33.04 68.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.535 HG21 ' CH2' ' A' ' 52' ' ' TRP . 19.9 t -72.13 -41.49 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -72.06 -47.71 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -33.44 28.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.967 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.469 ' CD1' ' HA2' ' A' ' 59' ' ' GLY . 4.0 tt -68.03 -39.77 83.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 t -70.75 -25.59 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -80.92 -18.25 47.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 41.64 86.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -83.78 -32.26 25.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.614 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -168.08 57.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.84 -175.73 35.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -45.0 -27.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 64' ' ' LYS . 9.0 mm -100.54 123.49 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.406 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 75.6 m -102.86 135.35 44.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -111.09 117.8 34.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.559 ' CZ3' ' HG ' ' A' ' 63' ' ' LEU . 16.8 m-90 -93.38 122.64 36.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.0 m -93.52 168.63 10.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -156.83 135.02 11.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.535 ' CH2' HG21 ' A' ' 13' ' ' VAL . 42.6 m95 -126.99 116.04 20.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 107.981 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.72 80.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.07 -131.5 10.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.49 17.09 24.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -126.86 130.28 49.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -50.86 110.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.75 -45.03 86.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' ' 16' ' ' LEU . . . 149.92 -127.43 2.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -167.21 175.77 7.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' TRP . . . -151.46 154.26 25.45 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 75' ' ' SER . . . -151.42 133.57 15.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.74 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.559 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -151.1 120.88 7.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -104.8 129.43 53.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.21 142.0 17.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -117.69 -59.25 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -127.64 -168.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.3 p -65.25 -38.13 89.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 -134.75 48.59 2.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.465 ' CE1' ' OG ' ' A' ' 108' ' ' SER . 19.9 t-80 -147.15 138.1 23.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.578 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.62 150.5 20.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.2 131.22 48.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.446 ' CD1' ' N ' ' A' ' 73' ' ' ILE . 3.2 mp -98.21 146.78 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.83 32.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.459 ' HB3' ' CB ' ' A' ' 62' ' ' ALA . 4.1 t -170.76 121.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 76' ' ' MET . 1.2 ppp? -178.7 34.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 161.06 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.405 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 70.9 m -80.95 -106.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.25 -74.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -174.18 70.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.59 25.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -70.75 -173.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.569 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -60.97 159.64 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.01 148.32 37.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -169.87 -45.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.56 42.22 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 78' ' ' THR . 1.4 t -62.99 -61.28 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.56 75.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.467 ' HD3' ' CE1' ' A' ' 127' ' ' PHE . 0.7 OUTLIER -63.18 -40.18 96.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.416 ' NE2' HD13 ' A' ' 3' ' ' ILE . 3.2 mm100 -56.87 -44.07 81.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.1 t -73.03 -50.23 33.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.434 ' CD1' HD13 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -52.41 -50.75 61.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -43.53 73.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.523 ' CG ' HG23 ' A' ' 3' ' ' ILE . 3.2 t-160 -61.04 -42.65 98.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.408 ' CD1' HG22 ' A' ' 73' ' ' ILE . 61.8 mt -64.39 -49.61 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.434 HD13 ' CD1' ' A' ' 92' ' ' LEU . 65.6 mt -58.37 -44.59 88.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -45.13 79.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.495 ' OE1' ' CD ' ' A' ' 102' ' ' ARG . 1.2 tm-20 -56.79 -50.86 71.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.27 77.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.42 ' HG2' ' CD2' ' A' ' 151' ' ' LEU . 0.7 OUTLIER -66.44 -37.39 85.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -79.93 -32.88 40.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.582 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -70.89 -43.43 68.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.25 55.48 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 102' ' ' ARG . 16.2 m-30 -89.32 177.96 6.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -47.67 7.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.407 ' HA ' ' CD1' ' A' ' 151' ' ' LEU . 0.1 OUTLIER -163.25 159.55 22.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.28 117.21 33.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.465 ' OG ' ' CE1' ' A' ' 70' ' ' HIS . 81.5 p -101.65 168.03 9.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.447 HD12 ' CE2' ' A' ' 124' ' ' TYR . 0.7 OUTLIER -174.33 162.84 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -83.83 123.78 30.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.9 t -148.54 -176.86 5.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.59 -159.9 23.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.8 m -111.92 -4.12 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 118' ' ' GLU . 4.7 tpt -51.01 146.98 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.68 -33.85 61.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.3 m -70.22 -35.68 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -109.66 27.41 9.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.0 OUTLIER -74.84 -53.58 3.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.98 -17.4 19.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.21 -51.47 66.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.541 ' HA ' ' CD2' ' A' ' 124' ' ' TYR . 17.7 ptt180 -67.18 -35.39 79.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -61.62 -46.75 88.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -53.23 -43.22 67.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.541 ' CD2' ' HA ' ' A' ' 121' ' ' ARG . 13.1 m-30 -62.75 -50.16 72.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.407 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 45.5 mt-10 -54.8 -33.27 61.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.2 t -65.34 -14.24 60.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.467 ' CE1' ' HD3' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -98.24 -16.13 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 108.57 -1.86 32.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 0.3 OUTLIER -41.01 159.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 111.047 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -121.4 159.28 26.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.417 ' CE2' ' HE1' ' A' ' 147' ' ' MET . 13.6 m-85 -94.7 150.41 20.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.74 -176.26 5.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 108.272 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 10.6 mt-10 -57.78 151.41 42.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.245 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.13 23.88 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.601 ' CE2' ' CE1' ' A' ' 146' ' ' PHE . 0.1 OUTLIER -155.58 -164.12 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.528 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 80.87 -168.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.92 -39.24 25.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -95.76 136.48 36.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -116.42 -162.77 13.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -42.35 158.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 0.727 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.429 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.7 OUTLIER 173.63 173.99 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.1 Cg_endo -75.05 1.56 7.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -166.71 80.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 53.9 p -153.4 136.73 15.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 5.4 m -148.0 151.82 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.601 ' CE1' ' CE2' ' A' ' 135' ' ' PHE . 15.8 t80 -122.38 146.18 47.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.417 ' HE1' ' CE2' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -120.68 142.22 49.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.466 ' C ' ' CD2' ' A' ' 129' ' ' PHE . 9.1 t -137.27 142.61 41.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 16.5 tptt -100.78 131.36 46.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 149' ' ' LYS . 3.9 ttpt -94.14 112.99 24.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.42 ' CD2' ' HG2' ' A' ' 100' ' ' GLU . 1.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.425 ' HG3' ' CB ' ' A' ' 53' ' ' GLU . 28.2 mmt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.502 0.192 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -164.69 108.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.597 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.619 ' CG2' ' CD2' ' A' ' 94' ' ' HIS . 3.9 mm -119.92 122.53 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.12 173.33 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.57 HG13 ' CD1' ' A' ' 49' ' ' TRP . 2.6 mp -87.69 138.63 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -107.62 118.86 37.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -125.3 100.86 6.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 53.24 176.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.415 ' O ' ' CG2' ' A' ' 9' ' ' THR . 0.5 OUTLIER 71.94 12.1 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.73 76.56 0.4 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.8 -49.63 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -60.7 -29.62 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.0 t -74.11 -42.03 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.16 -48.57 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -34.61 30.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.73 -45.04 60.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.9 -24.14 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -77.68 -61.35 2.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.23 97.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.04 -58.87 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.43 HD22 ' CB ' ' A' ' 62' ' ' ALA . 6.7 mp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -78.47 61.08 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.64 167.02 12.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.16 8.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 5.9 tt0 -107.56 54.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.4 mm -126.09 136.11 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.575 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 17.9 m -121.78 125.76 47.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 61' ' ' GLY . 2.9 m-85 -106.08 117.26 33.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.583 ' CZ3' ' HB3' ' A' ' 63' ' ' LEU . 20.2 m-90 -90.06 132.27 35.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.053 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.6 m -123.0 163.38 20.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.039 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.96 130.86 43.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.475 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 2.3 m95 -119.6 116.74 26.64 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.464 ' HG2' ' CB ' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -142.88 76.2 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.344 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.1 -128.02 2.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.0 -9.32 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -141.17 177.25 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.49 134.64 57.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.493 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -82.39 -36.57 26.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' CD2' ' A' ' 57' ' ' LEU . . . 177.08 -175.86 47.84 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -141.47 -174.26 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.601 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . -178.26 164.22 32.79 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . . . -131.86 127.34 36.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 0.734 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.583 ' HB3' ' CZ3' ' A' ' 49' ' ' TRP . 3.0 tt -137.99 119.74 15.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -120.1 137.24 54.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.24 148.57 44.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.72 -81.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.83 -170.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.3 t -60.11 -44.07 95.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -135.8 40.88 2.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -139.26 131.11 27.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.612 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.92 170.26 23.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -149.33 154.31 38.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.9 mt -115.96 138.73 45.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.48 46.86 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.72 102.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.433 ' HE3' ' CA ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -139.83 83.51 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -123.44 135.8 54.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.4 m -68.37 -83.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.25 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -117.42 -69.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER 163.49 -29.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.52 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 8.3 p-80 -135.58 111.52 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 109.597 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.91 159.71 41.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.417 ' O ' ' CB ' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -90.76 155.25 18.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 84' ' ' ARG . 0.2 OUTLIER 81.75 -67.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 131.44 110.0 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.434 1.084 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 68.8 t -73.87 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.433 ' CA ' ' HE3' ' A' ' 76' ' ' MET . . . -52.21 -42.65 63.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -55.23 -44.25 75.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 5.3 mm100 -62.05 -54.03 47.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.0 t -57.63 -53.83 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.82 -49.89 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -42.5 91.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.619 ' CD2' ' CG2' ' A' ' 3' ' ' ILE . 5.2 t-160 -56.91 -49.75 74.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.627 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 mp -56.74 -50.26 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.63 ' CD1' ' CE1' ' A' ' 127' ' ' PHE . 63.8 mt -59.78 -51.98 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -41.87 71.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.429 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 5.3 tp10 -62.63 -51.03 68.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.09 -31.13 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.78 -45.93 90.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -51.83 67.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -34.82 75.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.98 57.1 3.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -70.76 -173.72 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -108.08 -35.97 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -162.94 161.08 25.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.462 HD12 ' CD1' ' A' ' 151' ' ' LEU . 3.3 mt -123.44 118.22 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 m -106.98 168.86 8.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.479 HD12 ' CE2' ' A' ' 124' ' ' TYR . 0.3 OUTLIER -173.51 -175.7 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.446 ' HA ' ' CB ' ' A' ' 136' ' ' ALA . 12.6 pt-20 -95.72 128.08 42.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.0 m -146.42 143.83 29.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.91 -107.47 0.58 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.7 p 179.33 50.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 110.055 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.0 142.57 27.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.8 -31.61 39.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.2 p -64.57 -44.57 90.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -119.39 45.78 2.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.5 tt0 -71.23 -52.9 8.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.99 -12.63 21.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.09 -51.85 60.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 30.1 ptt85 -67.33 -32.31 73.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.6 OUTLIER -66.49 -37.82 85.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -34.84 78.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.479 ' CE2' HD12 ' A' ' 109' ' ' LEU . 14.4 m-30 -69.35 -50.2 48.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.469 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 29.1 mt-10 -49.74 -43.3 47.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.3 t -61.38 -16.83 50.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.63 ' CE1' ' CD1' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -90.91 -17.14 26.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 121.74 -16.4 8.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.565 1.165 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 5.7 m-85 -44.64 139.82 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -114.94 162.72 16.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.429 ' CD2' ' SD ' ' A' ' 147' ' ' MET . 22.4 m-85 -89.82 135.75 33.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 71.6 m -148.73 160.3 43.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.278 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -41.88 163.38 0.12 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.43 14.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.453 1.765 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 136' ' ' ALA . 76.8 t80 -132.15 -43.09 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -36.85 -62.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -172.5 -65.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -47.68 121.23 3.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -84.78 -163.72 37.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -49.49 157.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 167.69 167.23 0.13 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 0.45 8.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -156.59 78.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' SER . . . . . 0.433 ' O ' ' CG1' ' A' ' 145' ' ' VAL . 3.7 t -164.69 129.19 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' A' ' 144' ' ' SER . 15.9 m -154.43 144.75 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.519 ' CZ ' ' HB ' ' A' ' 148' ' ' THR . 17.3 t80 -117.32 156.85 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.469 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -131.56 143.81 50.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.519 ' HB ' ' CZ ' ' A' ' 146' ' ' PHE . 2.7 t -139.08 128.05 23.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.431 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 2.6 tmtt? -90.49 145.37 24.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.51 109.07 18.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 107' ' ' LEU . 1.2 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.544 0.212 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.92 109.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.603 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.488 HG21 ' CG ' ' A' ' 94' ' ' HIS . 3.2 mt -118.97 132.98 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -135.98 175.21 9.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.63 111.28 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.37 149.93 50.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -119.63 100.38 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HA ' ' CG1' ' A' ' 13' ' ' VAL . 0.6 OUTLIER 37.72 86.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.477 ' HB ' ' CG2' ' A' ' 13' ' ' VAL . 23.5 m -62.7 -81.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.51 ' O ' ' CG2' ' A' ' 14' ' ' VAL . . . -132.84 -125.68 2.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.07 -29.86 23.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -63.42 -49.52 73.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 9' ' ' THR . 79.4 t -73.27 -38.76 54.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 10' ' ' GLY . 3.3 t -61.66 -45.69 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.86 -46.99 74.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -44.77 77.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.69 -46.84 95.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -63.73 -70.12 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 176.68 137.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -92.82 -48.25 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.637 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.417 ' HG ' ' CB ' ' A' ' 80' ' ' ALA . 1.1 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.571 ' HG ' ' CZ ' ' A' ' 48' ' ' PHE . 2.6 mm? . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 38.96 81.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.69 146.12 13.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -9.42 20.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -136.89 51.84 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.6 mm -106.8 125.73 62.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.543 ' CG2' ' CH2' ' A' ' 49' ' ' TRP . 52.6 m -99.43 143.01 30.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 110.43 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.571 ' CZ ' ' HG ' ' A' ' 41' ' ' LEU . 3.0 m-85 -127.2 123.15 35.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.543 ' CH2' ' CG2' ' A' ' 47' ' ' THR . 10.4 m-90 -97.5 119.67 36.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 108.014 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.508 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 33.0 m -101.31 129.03 47.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.16 123.48 43.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.508 ' CZ2' ' HB3' ' A' ' 50' ' ' SER . 1.1 m95 -125.34 114.91 19.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 107.989 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -114.92 78.53 1.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.71 -128.74 6.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.058 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.31 -13.21 16.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -119.35 160.58 22.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.493 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -67.35 139.61 57.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.477 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -94.92 -33.77 12.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' HD23 ' A' ' 57' ' ' LEU . . . 176.25 -154.41 16.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.5 p -160.06 169.1 24.09 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TRP . . . -169.71 117.04 0.69 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.14 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.571 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . . . -114.53 153.82 29.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.524 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 3.2 pp -139.99 124.73 18.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -92.91 125.6 37.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.4 156.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.417 ' CD1' ' HB2' ' A' ' 72' ' ' GLU . 5.5 mt -139.91 -75.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.35 -175.16 3.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -57.99 -42.3 84.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.22 38.57 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -136.85 132.49 34.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.592 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.39 154.86 22.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 111.047 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.417 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 3.9 tt0 -133.88 134.03 42.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 110.287 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.4 mp -101.41 137.29 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.18 59.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.47 120.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.43 93.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.36 100.08 6.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.5 m -48.06 167.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 t -103.22 130.27 50.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.531 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -82.92 -165.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER 87.9 -20.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 70.36 81.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.635 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.9 pp -124.89 146.57 49.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -100.52 97.02 7.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -149.07 -59.91 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 118.66 61.65 0.28 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 21.6 t -62.07 -60.47 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.56 96.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -56.31 -44.57 80.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 4.9 mm100 -57.96 -50.99 71.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.74 -51.95 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.529 HD23 ' CE1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -48.19 -52.46 20.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -49.07 75.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.488 ' CG ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -60.55 -45.53 93.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.641 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.49 -51.46 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.512 HD13 ' CD2' ' A' ' 127' ' ' PHE . 79.0 mt -63.22 -45.39 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -42.4 74.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.498 ' CD ' ' CZ2' ' A' ' 49' ' ' TRP . 4.3 mm-40 -56.84 -49.23 76.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.255 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.4 ' HA ' ' CE2' ' A' ' 104' ' ' TYR . . . -66.82 -33.78 76.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -48.39 79.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -52.4 -52.62 52.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.569 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -65.82 -41.36 91.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.65 56.62 2.33 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 102' ' ' ARG . 22.3 m-85 -76.9 -168.91 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -115.73 -34.62 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -163.08 160.94 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.444 ' CD1' ' HB3' ' A' ' 149' ' ' LYS . 0.4 OUTLIER -144.28 131.36 20.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -103.3 165.47 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.966 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.483 HD23 ' CE2' ' A' ' 129' ' ' PHE . 2.2 pp -169.63 163.7 10.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -104.92 104.09 13.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.3 t -121.35 -54.64 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 63.01 -150.93 48.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 83.2 p -139.6 51.59 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -75.79 150.35 37.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.07 -34.1 55.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.5 t -77.05 -41.78 41.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -108.01 43.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.2 mt-10 -73.21 -53.31 4.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -75.0 -21.81 15.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.95 -51.08 71.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 29.9 ptt85 -65.08 -32.22 73.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -72.57 -42.67 64.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -32.06 64.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.529 ' CE1' HD23 ' A' ' 92' ' ' LEU . 3.7 m-85 -71.63 -50.17 33.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.477 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 34.8 mt-10 -50.15 -41.8 49.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.341 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.7 t -61.79 -13.62 25.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.512 ' CD2' HD13 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -96.65 -17.35 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 131.49 -27.41 3.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 4.4 m-85 -42.5 139.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -126.6 166.45 17.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.409 ' CD2' ' HE2' ' A' ' 147' ' ' MET . 15.2 m-85 -84.14 133.39 34.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 m -136.87 179.06 6.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 108.288 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.467 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -50.58 143.45 14.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.463 ' CG ' ' HG2' ' A' ' 140' ' ' GLU . 18.2 Cg_endo -75.0 124.72 8.84 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.543 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 16.8 t80 -137.65 -87.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.543 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 40.21 -151.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -60.8 3.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -107.03 143.99 34.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 140' ' ' GLU . . . -59.13 -149.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.463 ' HG2' ' CG ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -48.78 177.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.771 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.414 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.4 OUTLIER -173.8 173.41 1.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.3 Cg_endo -74.97 -32.43 5.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -144.94 74.32 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.4 m -165.85 143.94 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 5.0 m -136.63 -177.91 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 133' ' ' GLU . 70.4 t80 -137.61 156.39 48.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.477 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -138.21 148.61 44.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.9 t -139.11 145.84 39.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.443 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 2.5 tmtm? -110.1 133.81 52.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -107.34 109.8 21.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.521 0.2 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -165.49 107.9 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.603 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.54 HG23 ' CE1' ' A' ' 94' ' ' HIS . 37.5 mm -120.29 137.63 53.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -141.34 174.57 10.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.553 HG12 ' CD1' ' A' ' 49' ' ' TRP . 47.5 mt -114.47 119.25 60.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -127.37 130.94 50.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.93 100.99 6.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 46.11 88.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -174.41 121.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.64 115.12 2.0 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.42 -29.26 15.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.754 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -71.7 -45.27 62.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.4 t -71.04 -36.07 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -71.34 -42.18 73.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 m -54.67 -35.04 63.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -43.35 96.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.99 -44.95 92.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.515 ' O ' ' C ' ' A' ' 19' ' ' GLU . 5.0 m-80 -59.12 -22.44 60.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.515 ' C ' ' O ' ' A' ' 18' ' ' ASN . 1.3 pt-20 27.62 87.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -34.95 75.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.619 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 46' ' ' ILE . 4.2 mm? . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -79.42 59.59 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.37 165.22 26.78 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.1 18.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.564 1.823 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -95.78 48.58 1.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.452 ' CD1' HD11 ' A' ' 41' ' ' LEU . 10.1 mm -133.31 129.96 57.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.487 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 46.5 m -116.08 141.09 48.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -123.84 149.55 45.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.573 ' CH2' ' HG ' ' A' ' 63' ' ' LEU . 12.1 m-90 -127.96 123.77 35.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.0 m -110.01 137.87 47.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.053 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.469 ' CB ' ' CD1' ' A' ' 3' ' ' ILE . . . -110.87 136.69 49.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.357 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.512 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 17.1 m95 -117.26 122.25 43.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 107.999 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -131.66 76.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.84 -132.3 6.81 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.95 -4.82 21.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -133.56 154.67 50.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.512 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -53.8 133.33 42.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.49 -36.93 32.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.433 ' N ' ' CD2' ' A' ' 57' ' ' LEU . . . 171.37 -150.37 13.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.4 p 178.14 163.19 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -143.92 -174.0 15.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.41 ' CB ' ' HB2' ' A' ' 75' ' ' SER . . . -158.36 152.09 23.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.573 ' HG ' ' CH2' ' A' ' 49' ' ' TRP . 2.8 pp -155.91 134.27 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -109.6 135.37 50.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.67 152.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.405 HD12 ' ND1' ' A' ' 70' ' ' HIS . 4.7 mt -133.63 -87.05 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.443 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -119.42 179.73 4.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.3 p -55.23 -36.5 66.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 105' ' ' GLU . 0.2 OUTLIER -134.08 32.39 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.443 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 4.4 t-160 -132.34 134.31 45.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.21 171.02 24.77 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -153.97 154.38 33.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 0.813 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.1 mp -122.29 138.7 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.4 ' N ' ' HE3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -138.71 37.76 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.41 ' HB2' ' CB ' ' A' ' 62' ' ' ALA . 1.2 m -159.46 124.37 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.2 ttt -178.01 112.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -148.39 160.57 42.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.4 m -114.96 145.18 42.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.52 -61.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -132.47 158.71 41.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.49 -24.43 65.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.37 73.89 0.93 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.571 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.1 tp -124.54 157.92 34.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -91.9 154.02 19.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.64 143.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -78.15 91.52 1.13 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.2 t -50.98 -60.93 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.1 -32.21 46.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.45 ' HG2' ' CE2' ' A' ' 127' ' ' PHE . 1.0 OUTLIER -64.02 -44.43 92.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -58.27 -44.96 88.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 79.0 t -73.29 -49.99 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.565 HD22 ' CD2' ' A' ' 127' ' ' PHE . 14.5 tp -48.02 -46.89 33.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -48.56 72.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.54 ' CE1' HG23 ' A' ' 3' ' ' ILE . 39.1 t60 -63.15 -44.06 96.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.575 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 53.5 mt -59.22 -52.27 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.525 HD11 ' CE1' ' A' ' 127' ' ' PHE . 73.4 mt -57.62 -42.22 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -43.77 97.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -55.04 -47.27 75.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.569 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . . . -68.82 -31.69 70.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -23.29 65.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -77.63 -43.46 31.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -80.12 -33.79 38.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.63 57.89 2.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 99' ' ' ALA . 23.8 m-85 -64.58 -172.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -106.81 -39.86 5.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.15 161.1 24.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 149' ' ' LYS . 0.6 OUTLIER -117.48 122.27 43.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 92.7 p -105.88 168.21 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.609 ' CD2' ' CE2' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -161.1 166.22 28.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -103.11 102.9 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.2 m -137.28 128.36 27.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.2 44.81 0.97 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 m 53.56 25.05 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.974 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -62.12 129.54 41.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.97 -28.52 38.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.9 p -74.34 -29.34 61.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -123.37 33.06 5.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.0 OUTLIER -56.14 -54.31 53.98 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.98 -21.45 15.89 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.77 -51.48 49.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 5.4 ppt_? -64.4 -31.04 72.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.4 OUTLIER -74.06 -33.87 63.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -73.14 -41.88 63.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.564 ' CE1' HD13 ' A' ' 109' ' ' LEU . 11.6 m-85 -61.54 -53.3 58.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.488 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.6 OUTLIER -61.57 -27.74 68.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.8 t -69.73 -11.53 60.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.565 ' CD2' HD22 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -98.33 -17.31 18.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.984 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 138.18 -30.67 2.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.609 ' CE2' ' CD2' ' A' ' 109' ' ' LEU . 9.5 m-85 -37.24 135.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -124.07 145.52 49.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -60.49 140.59 57.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -168.54 -173.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.87 141.97 1.19 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.98 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -95.31 -25.85 16.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -42.29 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -137.15 28.8 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 52.21 173.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.27 149.22 6.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -98.28 170.76 8.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -167.53 145.62 3.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.55 21.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -128.45 66.96 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.4 m -173.56 147.92 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.044 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 28.2 m -127.48 137.34 58.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.523 ' CD1' ' HB3' ' A' ' 134' ' ' PRO . 0.3 OUTLIER -133.38 148.72 51.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.95 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.488 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -158.4 165.31 34.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 10.8 t -139.34 156.93 46.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -100.62 138.92 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.58 111.1 20.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.487 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 13.3 mtt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.51 0.195 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 1' ' ' MET . 42.0 m-70 -165.02 108.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.612 ' CG2' ' CE1' ' A' ' 94' ' ' HIS . 22.6 mm -118.96 137.08 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 3' ' ' ILE . 9.3 mtpt -158.99 176.43 12.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.1 mt -87.18 141.73 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.31 127.32 40.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -124.17 153.63 41.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.97 82.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 7' ' ' ASP . 1.3 t -160.92 25.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.23 97.54 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -52.18 -26.62 11.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.765 . . . . 0.0 110.27 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -69.58 -44.04 71.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.473 HG21 ' CH2' ' A' ' 52' ' ' TRP . 53.9 t -71.95 -39.82 67.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -71.56 -46.45 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 22.8 t -50.66 -53.13 33.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.29 -46.09 69.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.566 HG11 ' CZ ' ' A' ' 48' ' ' PHE . 63.7 t -63.26 -43.34 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -58.09 -70.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -177.27 108.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -94.51 -45.26 7.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.622 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -95.09 61.63 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.42 179.66 34.86 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.451 1.094 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -40.18 -34.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 47' ' ' THR . 4.2 mt -113.04 158.55 13.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.573 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 4.4 m -131.71 142.89 49.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.432 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -116.24 120.54 39.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.573 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 19.7 m-90 -98.93 138.64 35.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 107.96 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.462 ' HA ' ' CB ' ' A' ' 60' ' ' CYS . 11.8 p -123.04 170.21 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.502 ' CB ' ' CD1' ' A' ' 3' ' ' ILE . . . -135.94 120.78 18.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.473 ' CH2' HG21 ' A' ' 13' ' ' VAL . 6.9 m95 -107.59 120.38 42.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -125.15 76.76 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.15 -131.0 6.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.49 -12.09 15.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -118.73 162.38 18.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -65.28 129.67 40.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 51' ' ' ALA . . . -80.9 -39.5 26.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.422 ' N ' HD21 ' A' ' 57' ' ' LEU . . . 162.64 -166.58 36.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 17.1 p -177.98 170.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . -152.35 -176.45 25.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.18 154.19 25.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 0.741 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.561 HD23 ' CZ3' ' A' ' 49' ' ' TRP . 4.7 tt -156.93 115.25 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -122.51 140.32 52.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.97 151.18 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 -61.0 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.08 -163.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -76.13 -36.3 58.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.05 41.8 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -142.3 138.19 31.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.609 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -139.19 164.42 25.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -146.68 143.73 28.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.76 . . . . 0.0 110.281 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.437 HG12 ' CD1' ' A' ' 95' ' ' ILE . 4.7 mp -120.94 131.55 72.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -132.96 64.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.96 97.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.9 tpt -137.22 88.48 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -126.9 137.6 53.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.549 ' HB ' ' CD2' ' A' ' 82' ' ' HIS . 20.2 m -86.44 -71.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.7 t 166.75 63.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.047 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 62.11 116.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.524 ' O ' ' CG ' ' A' ' 82' ' ' HIS . 0.2 OUTLIER 75.27 -55.5 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.965 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.549 ' CD2' ' HB ' ' A' ' 78' ' ' THR . 1.5 m170 88.73 115.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 pp -72.99 158.99 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.45 104.29 16.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.08 -57.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.37 52.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.487 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 2.7 t -74.56 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.79 -34.43 65.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -46.66 87.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.366 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -57.09 -48.06 79.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.242 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.02 -49.0 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.512 HD21 ' CG ' ' A' ' 127' ' ' PHE . 6.0 tp -56.72 -51.25 69.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -37.08 66.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.612 ' CE1' ' CG2' ' A' ' 3' ' ' ILE . 12.0 t-160 -66.63 -55.19 16.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.437 ' CD1' HG12 ' A' ' 73' ' ' ILE . 26.4 mt -53.88 -43.8 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.683 ' CD1' ' CE1' ' A' ' 127' ' ' PHE . 67.4 mt -60.98 -56.04 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -37.52 67.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -48.94 79.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.403 ' HB2' ' CG ' ' A' ' 104' ' ' TYR . . . -67.45 -32.71 73.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.446 ' CG ' HD12 ' A' ' 151' ' ' LEU . 0.8 OUTLIER -63.34 -38.99 93.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -16.42 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.74 -42.98 10.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.243 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.94 47.01 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.403 ' CG ' ' HB2' ' A' ' 99' ' ' ALA . 3.8 m-85 -93.99 164.76 12.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.65 13.66 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -155.62 144.52 20.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.6 118.86 10.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.1 t -101.03 169.16 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.486 HD11 ' CE2' ' A' ' 124' ' ' TYR . 1.2 pp -148.97 163.21 38.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -103.82 104.67 14.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.426 ' CG2' HD13 ' A' ' 109' ' ' LEU . 2.2 t -144.44 140.51 29.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.437 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -147.54 36.91 1.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 p 52.97 38.69 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.062 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.84 136.99 32.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.83 -32.31 43.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.1 t -66.3 -34.23 77.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -122.49 37.5 4.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 2.3 mt-10 -65.79 -50.98 51.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.97 -22.96 14.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.99 -49.77 72.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 118' ' ' GLU . 23.1 ptt85 -67.15 -33.93 76.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -71.82 -30.29 65.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -77.19 -38.63 51.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.486 ' CE2' HD11 ' A' ' 109' ' ' LEU . 9.2 m-85 -64.89 -51.49 61.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.475 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.3 pp20? -59.44 -33.03 70.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.8 t -68.7 -11.79 60.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.683 ' CE1' ' CD1' ' A' ' 96' ' ' ILE . 2.5 t80 -98.37 -17.07 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.45 ' O ' ' NE2' ' A' ' 130' ' ' GLN . . . 136.54 -35.17 2.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.555 ' CD1' ' HB2' ' A' ' 149' ' ' LYS . 22.0 m-85 -37.95 137.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.46 HE21 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -127.81 151.93 48.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -60.32 148.13 38.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.2 m -169.72 179.66 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.336 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -49.81 149.41 4.6 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.97 162.45 37.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -145.23 -45.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -44.98 159.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.4 -49.29 5.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -52.86 139.74 26.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -107.48 179.14 22.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -43.21 166.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.11 166.93 0.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.41 9.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -150.3 75.98 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.61 132.9 3.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.59 ' C ' ' CD1' ' A' ' 146' ' ' PHE . 4.0 m -135.54 149.23 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 145' ' ' VAL . 6.1 m-85 -145.27 143.63 30.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.475 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -141.66 154.01 45.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.2 t -127.21 155.94 42.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.373 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 129' ' ' PHE . 9.7 tmtt? -111.38 144.47 40.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -110.96 107.77 17.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.446 HD12 ' CG ' ' A' ' 100' ' ' GLU . 8.0 tp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.527 0.203 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -165.03 108.55 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.706 ' CG2' ' CE1' ' A' ' 94' ' ' HIS . 12.6 mm -119.4 136.91 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 179.15 7.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.553 HG12 ' CD1' ' A' ' 49' ' ' TRP . 9.6 mt -110.44 138.19 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.408 ' CB ' ' OG ' ' A' ' 50' ' ' SER . 9.1 t70 -125.28 124.77 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -122.69 104.12 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 7' ' ' ASP . 0.6 OUTLIER 37.54 60.43 1.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -154.73 109.22 2.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.85 118.08 2.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -63.9 -53.05 56.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -60.41 -33.6 72.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.439 HG23 ' CH2' ' A' ' 52' ' ' TRP . 15.8 t -72.3 -49.45 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.19 -49.62 83.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -52.79 -40.88 63.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -38.41 80.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.7 t -75.6 -30.6 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -76.91 -69.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER 170.39 88.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -94.65 -56.55 2.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.618 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 74' ' ' LYS . 4.3 mp . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -164.89 42.07 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.262 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.8 -176.01 21.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -47.16 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -42.53 -30.47 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.5 mm -95.5 129.32 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.568 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 93.8 m -109.33 137.97 46.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 62' ' ' ALA . 7.0 m-85 -117.6 127.81 54.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.57 ' CZ3' HD12 ' A' ' 63' ' ' LEU . 17.0 m-90 -104.52 141.0 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.408 ' OG ' ' CB ' ' A' ' 6' ' ' ASP . 71.4 m -129.01 144.15 51.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.453 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -117.45 133.36 56.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.455 ' CA ' ' HB2' ' A' ' 58' ' ' ALA . 3.8 m95 -117.43 126.14 52.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 108.032 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -135.88 77.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.37 -133.66 11.77 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.65 13.3 30.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.343 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -133.38 148.04 51.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.411 HD12 ' CZ3' ' A' ' 52' ' ' TRP . 3.2 mm? -57.06 119.01 5.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.5 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -68.06 -20.5 64.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.32 177.61 17.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.7 m -140.84 151.94 44.74 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -157.55 147.89 16.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.453 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . . . -155.34 155.68 34.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.57 HD12 ' CZ3' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -142.36 139.67 31.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -96.82 135.81 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.38 112.75 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.498 HD21 ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -93.44 -77.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.434 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 37.8 m-20 -121.49 -172.87 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.1 t -66.8 -32.56 73.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -131.35 21.03 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.498 ' CD2' HD21 ' A' ' 66' ' ' LEU . 2.6 t60 -127.13 143.45 51.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.588 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -146.92 179.99 23.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 21.6 tt0 -162.57 149.91 13.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 108' ' ' SER . 1.4 mp -91.92 120.44 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.492 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 7.2 mmpt? -120.78 43.76 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.3 t -176.5 116.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 173.11 111.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.36 114.8 11.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 96.0 m -155.31 146.31 22.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.397 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.1 t -178.12 40.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.45 150.07 25.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.6 p -107.28 33.48 3.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.034 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -104.47 -10.83 17.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.586 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mt -143.07 149.35 38.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.2 114.32 18.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.0 86.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.72 -62.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 24.7 t -62.19 -61.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.98 -31.12 71.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -46.69 73.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.15 -55.01 39.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.2 t -56.69 -48.78 80.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 50.3 tp -56.59 -45.49 81.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -36.62 78.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.706 ' CE1' ' CG2' ' A' ' 3' ' ' ILE . 8.1 t-160 -65.76 -50.62 64.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.625 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.03 -47.88 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.568 HD13 ' CZ ' ' A' ' 127' ' ' PHE . 21.4 mt -61.51 -37.88 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -52.93 60.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.458 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 1.6 mp0 -55.51 -46.36 76.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.55 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . . . -70.38 -30.57 67.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.46 -40.04 70.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -29.28 61.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -43.11 40.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.08 52.12 1.67 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.55 ' CD2' ' HA ' ' A' ' 99' ' ' ALA . 22.5 m-85 -74.21 -173.36 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -111.88 -34.58 5.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.05 158.96 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.2 mt -116.43 120.14 37.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 135' ' ' PHE . 64.3 p -101.14 169.02 9.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 124' ' ' TYR . 1.4 pp -156.82 170.0 23.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -105.48 109.8 21.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.501 ' OG1' ' CD1' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -144.27 123.33 12.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.46 53.11 0.63 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 p 42.05 53.52 4.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -105.25 134.71 47.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.53 -46.87 70.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 96.4 p -56.67 -28.53 60.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -124.91 39.32 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 2.6 mt-10 -74.92 -50.34 4.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -75.01 -27.25 10.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.0 86.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.449 ' NE ' ' OH ' ' A' ' 131' ' ' TYR . 18.3 ttp-105 -71.82 -35.13 69.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.16 -28.18 60.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -75.39 -38.91 59.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.571 ' CD1' HD23 ' A' ' 109' ' ' LEU . 4.7 m-85 -63.63 -51.99 62.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.499 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.4 OUTLIER -62.81 -28.07 69.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.7 m -62.83 -14.07 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.568 ' CZ ' HD13 ' A' ' 96' ' ' ILE . 53.8 t80 -98.95 -17.47 18.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 132.88 -26.1 3.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 149' ' ' LYS . 12.4 m-85 -34.91 131.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -102.35 147.35 26.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.523 ' CE1' ' HE1' ' A' ' 147' ' ' MET . 15.6 m-85 -79.54 83.58 5.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.445 ' O ' ' O ' ' A' ' 133' ' ' GLU . 89.1 m -153.04 157.8 41.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 108.258 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 132' ' ' CYS . 1.4 tt0 55.88 113.91 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.546 ' O ' ' CG ' ' A' ' 135' ' ' PHE . 18.1 Cg_endo -75.04 177.74 8.2 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.809 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 108' ' ' SER . 13.2 m-85 -173.64 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -40.05 154.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.66 -44.56 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -60.97 175.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -123.15 -168.54 13.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 141' ' ' ASP . 44.4 mt-10 -59.1 153.66 17.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 110.329 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 140' ' ' GLU . 7.7 m-20 163.14 161.55 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 0.27 9.07 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -129.18 58.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.3 t -151.68 178.9 8.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.435 ' C ' ' CG ' ' A' ' 146' ' ' PHE . 35.0 m -140.43 179.99 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -154.81 163.73 39.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.523 ' HE1' ' CE1' ' A' ' 131' ' ' TYR . 0.1 OUTLIER -159.57 129.17 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.048 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.6 t -139.24 148.98 43.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -120.54 146.48 46.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.4 122.38 46.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.555 0.216 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.435 ' NE2' ' HG3' ' A' ' 4' ' ' LYS . 10.0 t-160 -165.15 107.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.582 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.608 ' CG2' ' CE1' ' A' ' 94' ' ' HIS . 6.7 mm -120.2 137.42 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.435 ' HG3' ' NE2' ' A' ' 2' ' ' HIS . 5.9 mttt -143.46 177.14 8.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.57 HG12 ' CD1' ' A' ' 49' ' ' TRP . 10.9 mt -111.3 131.56 62.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -96.18 118.76 33.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 8' ' ' LEU . 4.8 m-20 -125.2 100.77 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 7' ' ' ASP . 2.8 mp 39.67 59.03 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.69 160.78 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.62 105.82 2.53 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -56.83 6.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -60.18 -30.66 69.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.633 ' CG2' ' CH2' ' A' ' 52' ' ' TRP . 2.7 t -74.69 -53.6 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.2 t -58.85 -45.68 91.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -33.08 59.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.23 -44.57 59.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.12 -23.02 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -92.7 -19.93 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.26 166.41 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -53.12 -31.26 41.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.642 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mm? . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -96.64 57.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.6 175.1 28.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.43 9.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.441 1.759 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -60.45 -32.99 71.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.7 mt -114.4 141.15 31.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.56 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 17.7 m -107.87 139.48 42.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.74 122.34 44.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.57 ' CD1' HG12 ' A' ' 5' ' ' ILE . 17.4 m-90 -105.96 135.1 48.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 108.021 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 m -134.64 138.38 44.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.444 ' HB1' ' CD1' ' A' ' 3' ' ' ILE . . . -104.67 134.96 46.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.633 ' CH2' ' CG2' ' A' ' 13' ' ' VAL . 6.6 m95 -117.64 129.52 55.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -135.47 76.75 1.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.9 -130.15 9.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.53 3.83 27.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -123.63 -177.27 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 13' ' ' VAL . 1.1 mt -76.33 149.61 37.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.503 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -111.12 -18.17 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.463 ' HA3' ' CG2' ' A' ' 91' ' ' VAL . . . 152.16 160.37 9.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -136.27 137.45 40.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -138.44 153.95 22.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.34 152.09 41.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.552 ' HG ' ' CH2' ' A' ' 49' ' ' TRP . 1.5 pp -157.59 120.79 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -99.1 126.77 44.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -41.11 150.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.434 ' CD1' ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -140.09 -87.91 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -117.02 -175.11 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 t -70.55 -27.29 64.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -136.45 30.5 2.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.415 ' ND1' HD23 ' A' ' 66' ' ' LEU . 6.7 t-160 -135.09 137.14 42.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.578 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.14 165.49 26.62 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 5.1 mt-10 -145.5 148.95 33.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.415 ' CD1' ' O ' ' A' ' 108' ' ' SER . 3.2 mp -118.13 139.27 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.06 47.12 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.13 118.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.433 ' CE ' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -159.25 57.87 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.32 150.65 30.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.437 ' CG2' ' HA2' ' A' ' 59' ' ' GLY . 15.1 t -173.79 158.79 3.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 p 60.65 152.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.22 52.11 2.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.03 29.09 5.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.96 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -90.31 -7.45 53.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mt -116.53 150.64 37.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -101.89 97.08 7.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 48.58 -173.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.46 -61.02 1.51 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -45.89 -57.05 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.433 ' HB3' ' CE ' ' A' ' 76' ' ' MET . . . -55.65 -39.04 70.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -48.82 72.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.413 ' NE2' HD12 ' A' ' 3' ' ' ILE . 4.4 mm100 -56.97 -50.31 73.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 59.9 t -61.23 -54.81 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.51 HD23 ' CE2' ' A' ' 127' ' ' PHE . 5.8 tp -48.36 -50.87 28.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -43.56 73.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.608 ' CE1' ' CG2' ' A' ' 3' ' ' ILE . 9.2 t-160 -64.88 -39.56 93.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.646 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.0 mm -57.3 -53.78 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 100' ' ' GLU . 48.1 mt -60.76 -50.25 81.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -46.4 78.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -59.32 -46.92 87.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.468 ' HB3' ' CD2' ' A' ' 104' ' ' TYR . . . -69.73 -31.06 68.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -59.04 -33.98 71.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -52.68 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -53.57 -40.79 65.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.03 61.18 0.95 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.48 1.113 . . . . 0.0 111.054 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 102' ' ' ARG . 56.5 m-85 -97.91 165.81 11.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.747 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.8 12.16 2.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.27 136.98 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.402 ' CD1' HD21 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -138.36 139.79 39.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.415 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 59.6 p -109.67 169.13 8.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.954 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.57 ' CD2' ' CE1' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -160.11 168.83 24.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.439 ' N ' ' CD1' ' A' ' 109' ' ' LEU . 1.2 pm0 -104.96 107.38 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.6 m -157.51 125.58 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.564 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . -153.49 28.51 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 1.3 m 90.58 -14.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 110.043 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.559 ' HG2' ' CD2' ' A' ' 117' ' ' PHE . 1.6 tpt -36.08 117.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.31 -48.81 65.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -22.51 6.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.559 ' CD2' ' HG2' ' A' ' 114' ' ' MET . 25.1 m-85 -124.96 31.19 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.3 mt-10 -61.67 -50.29 82.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.98 -21.85 15.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.502 1.79 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.94 -46.87 61.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 13.2 ttp-105 -66.22 -41.68 89.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -33.31 69.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.366 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.23 -38.05 69.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.506 ' CD1' HD22 ' A' ' 109' ' ' LEU . 7.1 m-85 -71.52 -50.46 31.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.464 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 28.9 mt-10 -55.21 -25.05 30.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -21.47 61.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.51 ' CE2' HD23 ' A' ' 92' ' ' LEU . 2.4 m-85 -91.56 -17.12 26.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 117.24 -8.12 16.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 3.5 m-85 -38.21 134.44 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -124.59 166.87 15.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -80.02 137.71 36.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.483 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 0.1 OUTLIER -160.87 -164.71 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.266 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 132' ' ' CYS . 1.9 mp0 -38.64 123.4 1.16 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.99 164.61 33.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.812 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -176.1 -69.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 111.058 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . 39.64 -153.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -93.09 14.97 16.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -144.11 -147.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -140.01 163.89 26.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.97 165.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -177.03 166.6 1.36 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -8.92 20.55 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.444 1.76 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -139.72 69.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.31 178.58 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 5.7 m -150.72 171.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 134' ' ' PRO . 0.7 OUTLIER -146.87 165.48 29.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.956 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.464 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -158.16 144.53 17.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 132' ' ' CYS . 0.7 OUTLIER -139.06 148.57 43.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.411 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 9.1 tmtm? -105.91 124.03 48.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.16 103.55 13.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.402 HD21 ' CD1' ' A' ' 107' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.8 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.524 0.202 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.34 111.75 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.634 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.522 HG22 ' CG ' ' A' ' 94' ' ' HIS . 12.0 mm -116.5 136.4 53.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.81 176.74 8.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.517 HG12 ' CD1' ' A' ' 49' ' ' TRP . 41.1 mt -112.94 130.83 66.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -131.93 140.2 48.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.41 103.06 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.59 -173.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 63.92 144.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.48 117.41 4.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -55.64 31.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -66.93 -32.11 73.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.5 -49.66 68.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.5 t -69.94 -49.08 59.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -51.43 -33.08 29.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 77' ' ' ARG . 3.0 tm? -67.92 -42.91 80.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.563 HG21 ' CZ ' ' A' ' 48' ' ' PHE . 75.4 t -67.07 -44.06 88.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.68 -70.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 169.16 99.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -96.68 -51.11 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.597 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 178.07 69.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.21 177.71 37.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 53.96 3.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.47 -41.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 64' ' ' LYS . 1.4 mm -90.0 135.54 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.486 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 38.2 m -129.34 134.6 47.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.391 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -108.56 120.2 41.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CD1' ' CD2' ' A' ' 94' ' ' HIS . 12.2 m-90 -91.38 132.72 36.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.0 m -122.3 129.85 52.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.474 ' CB ' HD11 ' A' ' 3' ' ' ILE . . . -99.37 134.55 42.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.481 ' CE3' HD12 ' A' ' 57' ' ' LEU . 4.0 m95 -123.51 131.94 53.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.008 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.43 ' OE1' ' NE2' ' A' ' 90' ' ' GLN . 11.8 tt0 -142.82 76.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.31 -132.47 11.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.04 17.48 24.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -137.3 139.52 40.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.481 HD12 ' CE3' ' A' ' 52' ' ' TRP . 2.8 mm? -53.65 123.97 13.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.456 ' HB1' ' CA ' ' A' ' 52' ' ' TRP . . . -77.22 -15.15 59.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.57 171.63 13.93 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.438 1.086 . . . . 0.0 111.027 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 87.4 m -149.71 157.0 42.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -177.49 152.8 12.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.23 157.58 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.569 HD21 ' CH2' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -154.51 114.89 3.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -126.45 129.29 48.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -48.01 156.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 72' ' ' GLU . 3.3 mt -129.9 -65.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.28 -168.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -61.37 -42.39 98.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.0 mtt-85 -134.94 36.58 3.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -137.22 135.21 37.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.22 175.11 21.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 41.5 tt0 -148.74 159.59 43.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.754 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.407 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 1.8 mp -109.97 137.59 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 75' ' ' SER . 8.0 mmpt? -121.63 144.52 48.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 74' ' ' LYS . 58.3 m 42.04 92.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.32 98.05 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -136.78 138.55 41.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 t -80.41 -175.13 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.3 t -118.45 153.46 34.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.1 60.38 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.6 p -98.1 24.78 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 21.3 m170 65.77 47.64 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.61 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mt -116.62 159.12 22.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -126.41 105.79 9.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.32 90.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.43 -62.24 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 t -46.87 -61.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.52 -31.43 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -42.36 89.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.43 ' NE2' ' OE1' ' A' ' 53' ' ' GLU . 8.3 mm-40 -57.4 -48.98 77.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.97 -55.1 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.439 ' CD1' HD13 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -48.06 -37.17 14.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -41.86 94.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.574 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 33.7 t60 -73.41 -27.02 61.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.42 -47.23 93.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.698 ' CD1' ' CE2' ' A' ' 127' ' ' PHE . 34.3 mt -67.9 -38.64 80.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -45.97 72.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -56.38 -47.66 78.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.417 ' CB ' HD13 ' A' ' 107' ' ' LEU . . . -69.8 -32.82 71.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.76 -38.74 73.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -15.36 61.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.25 -43.08 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.6 44.47 1.14 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -95.37 168.82 10.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.48 10.75 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -163.15 160.23 23.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.417 HD13 ' CB ' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -152.72 135.4 15.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.5 p -114.49 167.74 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.413 ' CD1' ' HB ' ' A' ' 111' ' ' THR . 1.0 OUTLIER -170.26 166.4 8.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -103.42 131.63 50.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.413 ' HB ' ' CD1' ' A' ' 109' ' ' LEU . 1.4 t -163.34 -178.89 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.407 ' HA2' ' CG2' ' A' ' 145' ' ' VAL . . . -175.95 -142.97 4.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 p -116.86 0.19 12.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 0.0 109.999 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.563 ' HB3' ' CD2' ' A' ' 117' ' ' PHE . 4.5 tpt -58.74 146.64 36.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.91 -29.37 28.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.6 t -76.53 -30.71 57.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.055 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 11.6 m-85 -105.03 14.67 28.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER -75.08 -53.07 2.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.93 -44.54 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.588 ' O ' ' CD1' ' A' ' 124' ' ' TYR . . . -52.04 -34.87 45.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -79.64 -33.27 41.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.425 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 0.3 OUTLIER -75.08 -26.77 59.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 119' ' ' PRO . 2.3 tm? -76.85 -36.43 56.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 120' ' ' ALA . 7.5 m-85 -70.35 -51.69 28.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 122' ' ' LYS . 0.2 OUTLIER -59.68 -27.01 66.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -18.7 60.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.055 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.698 ' CE2' ' CD1' ' A' ' 96' ' ' ILE . 1.4 t80 -99.28 -17.21 18.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 133.83 -34.87 2.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 10.1 m-85 -33.87 135.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -120.27 153.56 36.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 146' ' ' PHE . 5.8 p90 -108.71 107.05 17.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 133' ' ' GLU . 59.3 m -101.87 -164.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 132' ' ' CYS . 2.5 pt-20 -37.09 149.77 0.16 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 159.61 41.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.588 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 3.1 t80 -172.8 -86.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.588 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 40.67 -101.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -137.87 29.56 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -151.53 -173.05 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 111.007 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -118.29 -169.97 14.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -50.28 156.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 110.318 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.1 159.35 3.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -10.38 21.21 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -148.17 69.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 34.3 m -166.47 139.05 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.407 ' CG2' ' HA2' ' A' ' 112' ' ' GLY . 22.0 m -149.08 -171.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 131' ' ' TYR . 79.0 t80 -153.55 132.31 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.26 138.17 40.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 7.2 t -139.96 133.29 29.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -101.3 132.15 46.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.245 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.84 110.8 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.42 ' HG2' ' NE2' ' A' ' 90' ' ' GLN . 3.5 mtt . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.483 0.182 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 109.08 0.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.459 HD13 ' CB ' ' A' ' 51' ' ' ALA . 24.9 mm -118.82 136.9 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -146.79 178.37 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.555 HG12 ' CD1' ' A' ' 49' ' ' TRP . 38.2 mt -108.06 133.16 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -95.17 118.76 32.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -125.09 100.95 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 55.64 168.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.407 HG21 ' N ' ' A' ' 10' ' ' GLY . 0.5 OUTLIER 64.68 168.14 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' N ' HG21 ' A' ' 9' ' ' THR . . . 100.59 92.2 2.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -50.07 72.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.16 -45.06 94.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 57' ' ' LEU . 50.4 t -58.27 -54.38 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.3 t -61.27 -48.2 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -55.8 -36.82 67.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.52 -46.77 68.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.519 HG22 ' CZ ' ' A' ' 48' ' ' PHE . 54.2 t -64.41 -31.92 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -68.05 -64.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 178.94 106.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -96.61 -58.89 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.608 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -170.72 75.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.249 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 174.47 166.02 31.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.44 1.087 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 53.59 3.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.778 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -138.94 -45.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 47' ' ' THR . 7.6 mt -93.36 144.98 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.563 HG23 ' CZ2' ' A' ' 49' ' ' TRP . 13.0 m -113.35 142.86 45.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.437 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.519 ' CZ ' HG22 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -117.64 123.4 46.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.643 ' CH2' ' CD2' ' A' ' 63' ' ' LEU . 18.6 m-90 -100.44 151.98 20.91 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.1 m -165.08 145.44 7.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.459 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -103.89 166.09 10.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.574 ' CZ3' HD13 ' A' ' 57' ' ' LEU . 3.1 m95 -143.81 117.74 9.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 108.016 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.45 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 2.7 tt0 -131.64 76.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.88 -129.94 8.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.76 10.8 24.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -130.15 161.84 30.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.574 HD13 ' CZ3' ' A' ' 52' ' ' TRP . 0.7 OUTLIER -68.19 121.23 15.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.45 ' HB2' ' CB ' ' A' ' 53' ' ' GLU . . . -78.94 -9.46 59.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 152.54 149.58 5.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.544 1.152 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.413 ' N ' HG22 ' A' ' 91' ' ' VAL . 25.2 p -147.1 158.92 44.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.425 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . -179.1 163.4 30.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.19 144.52 45.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.643 ' CD2' ' CH2' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -146.27 114.58 6.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HG2' ' CE ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -97.86 151.18 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.79 124.05 28.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.06 -53.8 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 70' ' ' HIS . 3.8 m-20 -145.71 -178.47 6.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.3 t -64.54 -18.09 64.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -144.94 45.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.472 ' CB ' ' OD1' ' A' ' 67' ' ' ASP . 3.0 t-160 -146.44 147.47 31.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.579 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -158.68 135.74 4.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.461 ' O ' ' CE ' ' A' ' 74' ' ' LYS . 7.8 tt0 -127.43 132.41 50.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.0 mp -98.61 145.86 9.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.461 ' CE ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -140.29 59.96 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 t 177.72 155.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 172.91 79.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -121.86 103.85 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.3 m -75.36 -97.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.72 163.83 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.02 -62.82 0.76 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 p -170.44 37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -74.5 -114.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.623 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.15 152.64 36.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 mmm-85 -106.13 123.3 47.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 40.79 87.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.4 -58.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -53.46 -59.43 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.84 76.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -60.63 -39.55 88.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.42 ' NE2' ' HG2' ' A' ' 1' ' ' MET . 6.0 mt-30 -57.44 -40.92 79.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.413 HG22 ' N ' ' A' ' 60' ' ' CYS . 25.2 t -74.84 -51.05 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.521 HD21 ' CD1' ' A' ' 127' ' ' PHE . 8.0 tp -51.58 -53.89 33.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -30.23 70.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.533 ' CE1' ' HB3' ' A' ' 49' ' ' TRP . 20.5 t-160 -68.92 -57.86 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.631 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 12.6 mt -53.3 -46.56 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.07 -37.9 64.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -43.31 87.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.03 -47.6 85.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.442 ' HB2' ' CG ' ' A' ' 104' ' ' TYR . . . -69.52 -32.91 72.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.03 -52.25 65.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -53.0 58.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -38.97 93.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . 87.51 75.46 1.28 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.442 ' CG ' ' HB2' ' A' ' 99' ' ' ALA . 3.6 m-85 -83.49 -172.29 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -110.09 -35.16 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -162.97 157.66 21.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.4 mt -117.75 134.08 55.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.7 m -101.92 166.93 10.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.075 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 129' ' ' PHE . 4.5 pp -147.43 163.05 37.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.94 103.84 13.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.521 ' O ' ' CZ ' ' A' ' 138' ' ' TYR . 15.1 t -152.73 149.57 28.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . -164.62 28.51 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 1.4 m 91.01 -16.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.7 tpt -38.9 127.16 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.72 75.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.152 . . . . 0.0 109.362 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.87 -21.25 2.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -124.77 29.93 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 6.3 mt-10 -68.65 -50.54 24.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 110.254 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.98 -20.33 17.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.18 90.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.552 ' HA ' ' CD1' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -67.68 -37.74 82.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -31.59 72.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -30.35 58.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.552 ' CD1' ' HA ' ' A' ' 121' ' ' ARG . 18.9 m-30 -73.07 -50.1 24.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.431 ' CG ' ' HE3' ' A' ' 147' ' ' MET . 3.9 mt-10 -59.93 -28.14 67.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.219 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -30.82 48.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.955 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.521 ' CD1' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -82.18 -17.0 47.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.44 82.27 1.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.569 ' CD2' HD23 ' A' ' 109' ' ' LEU . 2.3 m-85 -143.51 135.66 26.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 110.978 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -121.88 151.71 40.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -57.23 140.58 49.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.415 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 1.5 m -161.89 177.14 10.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 108.289 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -56.14 142.22 67.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 114.69 4.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.791 . . . . 0.0 111.037 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -92.87 -33.31 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 138' ' ' TYR . . . -44.72 -90.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -154.83 -61.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.521 ' CZ ' ' O ' ' A' ' 111' ' ' THR . 2.8 p90 -44.21 159.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -126.02 -162.12 11.17 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -57.89 163.62 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 167.05 172.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -22.19 15.15 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.47 1.774 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -131.12 59.14 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 31.0 t -144.09 135.04 25.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 10.3 m -134.83 153.84 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 132' ' ' CYS . 0.4 OUTLIER -157.87 148.26 20.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.431 ' HE3' ' CG ' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -158.54 160.06 36.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.7 t -136.22 155.17 50.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -102.72 132.03 49.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -96.52 117.74 31.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.49 0.186 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.18 108.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.592 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.579 ' CD1' ' CB ' ' A' ' 51' ' ' ALA . 17.3 mm -119.73 137.28 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.56 176.65 8.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.521 HG12 ' CD1' ' A' ' 49' ' ' TRP . 31.1 mt -108.97 134.52 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 9' ' ' THR . 7.6 t70 -116.5 143.99 44.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -125.22 100.56 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 7' ' ' ASP . 1.0 OUTLIER 39.18 62.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.4 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 1.2 m -160.95 160.9 31.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.18 115.07 3.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mmt-85 -63.52 -56.23 17.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -60.88 -45.09 95.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.373 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.557 ' CG2' ' CH2' ' A' ' 52' ' ' TRP . 7.2 t -61.2 -39.82 83.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.3 t -72.63 -50.78 31.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -41.39 57.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -58.63 -44.38 90.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.7 t -63.43 -49.66 81.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -61.94 -14.54 35.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 55.76 72.52 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -75.25 -44.69 44.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.612 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 80' ' ' ALA . 3.3 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -80.03 56.1 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.01 174.46 21.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.153 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.428 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -75.0 166.43 29.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 44' ' ' PRO . 15.4 pt-20 43.3 54.99 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.7 mm -111.75 133.77 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.562 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 51.9 m -134.38 140.16 46.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -119.28 123.45 44.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.567 ' CZ3' ' HB3' ' A' ' 63' ' ' LEU . 19.0 m-90 -100.32 149.29 23.76 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.9 p -144.84 151.41 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.579 ' CB ' ' CD1' ' A' ' 3' ' ' ILE . . . -113.52 149.06 34.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.572 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 14.3 m95 -143.17 116.65 9.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 108.059 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -129.8 76.64 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.84 -130.06 6.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.71 -4.97 21.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -127.81 154.84 44.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.572 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -53.16 154.1 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.35 4.71 14.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.91 154.16 6.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.7 p -145.39 155.94 43.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . 172.13 167.49 32.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.566 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . . . -116.01 172.52 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.567 ' HB3' ' CZ3' ' A' ' 49' ' ' TRP . 1.7 tt -163.59 118.23 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.3 132.05 51.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -52.57 155.57 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.45 -58.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -135.2 -169.82 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.4 t -61.19 -39.17 89.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 69' ' ' ARG . 20.1 mtm105 -137.17 42.75 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.412 ' NE2' ' OG ' ' A' ' 108' ' ' SER . 8.8 t-80 -146.08 133.06 20.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.548 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -140.28 172.02 23.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -150.1 150.94 32.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.8 mp -109.78 141.48 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.53 -106.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.9 m -47.65 131.74 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.473 ' HE1' ' CB ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 176.55 83.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.415 ' O ' ' OG1' ' A' ' 78' ' ' THR . 20.5 mtt180 -144.22 153.37 41.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 77' ' ' ARG . 3.0 m -163.95 149.86 11.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.422 ' CB ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER 172.1 -156.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.452 ' HB2' ' CB ' ' A' ' 21' ' ' LEU . . . 68.76 -168.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.7 p -74.87 63.94 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -137.26 -178.76 5.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.1 . . . . 0.0 109.589 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.8 143.73 55.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.44 157.18 34.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 mptt 41.09 88.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.501 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 149.46 -48.9 0.58 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 t -54.4 -61.11 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.473 ' CB ' ' HE1' ' A' ' 76' ' ' MET . . . -67.64 -38.45 83.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -35.2 72.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 3.4 mm100 -63.33 -44.91 93.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.5 t -68.09 -52.83 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.4 tp -48.21 -51.14 26.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -36.94 65.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.521 ' CG ' HG22 ' A' ' 3' ' ' ILE . 3.5 t-80 -68.31 -55.49 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 58.5 mt -53.24 -45.45 55.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.564 HD13 ' CZ ' ' A' ' 127' ' ' PHE . 96.4 mt -58.33 -47.61 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -43.49 98.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.53 -49.91 71.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.422 ' HB2' ' CD1' ' A' ' 104' ' ' TYR . . . -66.73 -34.89 78.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -47.04 88.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -50.53 65.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -42.45 41.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.67 53.86 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 3.4 m-85 -94.51 163.65 13.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.772 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -139.18 13.21 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.418 ' N ' ' CD1' ' A' ' 151' ' ' LEU . 0.0 OUTLIER -162.82 154.69 18.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.33 122.02 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.412 ' OG ' ' NE2' ' A' ' 70' ' ' HIS . 66.1 p -119.6 164.19 16.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.592 ' O ' ' CE2' ' A' ' 146' ' ' PHE . 1.1 pp -174.46 160.39 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.84 124.04 37.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.462 ' CG2' HD12 ' A' ' 109' ' ' LEU . 7.7 t -172.22 99.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.494 ' O ' ' CG2' ' A' ' 145' ' ' VAL . . . -83.0 -113.9 0.52 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.7 p -153.93 40.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 109.99 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.425 ' HA ' ' CE ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -80.4 145.41 32.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.73 -27.3 17.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.4 t -70.58 -38.49 74.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -120.92 40.4 3.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 2.6 mt-10 -72.89 -50.55 6.98 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -75.03 -21.22 16.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.63 -50.2 73.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 45.9 ptt85 -69.42 -33.31 72.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -69.99 -24.99 63.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.6 tp -76.49 -29.25 56.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.415 ' C ' ' HB2' ' A' ' 129' ' ' PHE . 14.0 m-30 -72.88 -52.31 15.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.47 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.2 pp20? -58.57 -26.88 64.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.27 -11.34 59.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.973 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 96' ' ' ILE . 23.6 t80 -99.47 -17.49 17.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 135.73 -33.78 2.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 11.9 m-85 -34.75 151.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.93 150.82 49.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.598 ' CE2' ' SD ' ' A' ' 147' ' ' MET . 29.5 m-85 -92.35 96.55 10.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 133' ' ' GLU . 2.7 m -145.69 141.29 27.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 108.335 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 132' ' ' CYS . 1.3 tt0 57.14 115.14 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.7 6.9 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.794 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.631 ' CB ' ' CD2' ' A' ' 146' ' ' PHE . 0.1 OUTLIER 173.01 -164.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . 70.3 -63.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 135' ' ' PHE . 0.2 OUTLIER -93.75 5.62 51.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 137' ' ' ASP . 62.6 m-85 57.51 152.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 49.64 179.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.15 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.08 177.98 8.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 174.73 155.31 0.33 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -36.62 2.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.555 1.818 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -114.9 55.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.43 133.4 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 112' ' ' GLY . 11.7 m -146.74 -173.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.631 ' CD2' ' CB ' ' A' ' 135' ' ' PHE . 81.0 t80 -153.34 167.54 29.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -138.12 146.42 42.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 11.7 t -139.31 150.44 45.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -121.44 138.3 54.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.55 103.51 11.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.418 ' CD1' ' N ' ' A' ' 106' ' ' ARG . 2.0 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.452 ' N ' ' OE2' ' A' ' 53' ' ' GLU . 39.0 mtm . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.428 0.156 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.66 108.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.593 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.566 HG22 ' CD2' ' A' ' 94' ' ' HIS . 15.5 mm -119.41 137.44 53.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.23 176.57 11.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.575 HG12 ' CD1' ' A' ' 49' ' ' TRP . 35.0 mt -111.7 133.6 56.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -127.78 142.14 51.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -124.75 101.19 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 40.42 82.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -170.48 128.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.72 116.97 4.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.541 1.15 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.62 -53.84 48.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -65.32 -29.33 70.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.43 -42.21 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.9 t -76.51 -44.06 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.2 t -51.52 -35.69 41.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.88 -43.73 82.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.3 t -71.92 -23.94 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -80.14 -59.9 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 179.66 105.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -96.26 -58.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.544 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 70.9 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.59 78.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 169.19 166.19 27.82 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 53.32 3.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 46' ' ' ILE . 12.7 pt-20 -139.49 -45.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.432 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 2.6 mt -94.57 129.91 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.4 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 52.0 m -94.82 140.58 29.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -114.6 124.18 51.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.575 ' CD1' HG12 ' A' ' 5' ' ' ILE . 16.1 m-90 -96.3 123.12 39.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.014 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -104.62 -176.13 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 110.045 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.442 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -173.28 144.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.47 ' CA ' ' HB1' ' A' ' 58' ' ' ALA . 6.9 m95 -128.75 127.24 41.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.452 ' OE2' ' N ' ' A' ' 1' ' ' MET . 4.6 tp10 -132.4 79.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.148 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.61 -133.28 11.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -106.97 21.2 17.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -135.86 137.62 41.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.451 HD11 ' CZ3' ' A' ' 52' ' ' TRP . 3.0 mm? -50.85 107.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HB1' ' CA ' ' A' ' 52' ' ' TRP . . . -57.47 -32.83 67.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.73 175.15 13.64 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.6 p -160.69 149.57 16.76 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.82 177.96 26.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -148.9 170.12 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.569 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 4.1 pp -157.59 125.88 5.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -92.13 151.9 20.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.02 109.34 18.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.24 -76.97 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.9 -176.54 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -75.21 -23.64 57.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' O ' ' CD1' ' A' ' 104' ' ' TYR . 4.8 mtt180 -116.93 -36.56 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -89.07 154.14 20.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.643 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.34 -169.91 15.73 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.69 148.87 28.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 0.791 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.409 ' CD1' ' N ' ' A' ' 73' ' ' ILE . 3.4 mp -122.44 119.7 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.12 164.26 21.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.553 ' O ' ' CB ' ' A' ' 76' ' ' MET . 0.1 OUTLIER 73.93 165.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.553 ' CB ' ' O ' ' A' ' 75' ' ' SER . 6.1 tmm? 84.82 123.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -150.32 147.87 28.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.4 m -71.51 145.43 49.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.6 m -90.11 -174.06 4.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.69 176.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.33 47.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -147.9 55.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.596 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.7 tt -133.27 157.14 46.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -102.41 131.77 48.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.52 158.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.03 118.11 4.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 2.2 t -75.07 -61.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 92' ' ' LEU . . . -59.58 -32.44 70.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -62.72 -32.76 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.49 -54.26 12.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.7 t -66.11 -49.5 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 44.8 tp -46.58 -44.17 17.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -48.99 79.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.566 ' CD2' HG22 ' A' ' 3' ' ' ILE . 12.5 t60 -67.62 -33.41 74.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 mm -60.65 -51.06 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 92.2 mt -67.01 -33.33 62.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -43.96 74.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -55.18 -49.56 71.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.461 ' HB1' ' CD1' ' A' ' 151' ' ' LEU . . . -66.19 -32.39 73.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -33.43 75.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -68.4 -52.93 27.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -39.44 91.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.03 61.54 1.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 69' ' ' ARG . 4.3 m-85 -82.8 -178.72 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -93.77 -39.71 10.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -163.21 161.02 24.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.4 mt -109.31 126.31 53.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.72 143.77 45.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.597 ' O ' ' CE1' ' A' ' 146' ' ' PHE . 1.1 pp -160.64 145.77 14.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -79.02 127.37 31.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.424 ' CG2' ' HB2' ' A' ' 147' ' ' MET . 1.4 t -162.56 64.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.376 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -43.08 -94.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 m -177.72 36.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.51 144.77 41.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.43 -27.02 22.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.3 m -65.58 -41.11 93.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.982 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -121.82 35.58 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.501 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.3 mt-10 -65.36 -51.4 52.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -74.98 -20.93 16.42 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.561 1.821 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.79 -51.01 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.524 ' HA ' ' CD1' ' A' ' 124' ' ' TYR . 22.2 ptt180 -67.02 -32.73 74.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.8 OUTLIER -71.84 -25.6 62.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.2 tt -78.14 -26.93 48.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.524 ' CD1' ' HA ' ' A' ' 121' ' ' ARG . 15.7 m-30 -74.38 -52.74 11.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.479 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.0 OUTLIER -55.65 -33.46 64.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -14.69 63.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -98.14 -17.27 19.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 134.71 -34.15 2.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 0.5 OUTLIER -35.33 143.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -120.72 153.97 36.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.641 ' CZ ' ' CE ' ' A' ' 147' ' ' MET . 66.6 m-85 -96.05 127.41 42.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.0 p 175.38 155.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 55.67 102.6 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.346 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 61.5 5.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 146' ' ' PHE . 0.9 OUTLIER -63.43 -159.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' ASP . . . 71.31 158.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' ALA . 0.0 OUTLIER -37.69 -49.59 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.456 ' CD2' ' C ' ' A' ' 138' ' ' TYR . 8.0 p90 -79.46 146.48 32.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -113.8 -151.62 10.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -46.94 163.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.56 165.71 0.53 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.48 18.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 143' ' ' ASN . 5.6 t30 -148.4 78.67 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.69 129.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.55 HG22 ' CD1' ' A' ' 131' ' ' TYR . 3.0 m -139.93 154.24 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 109' ' ' LEU . 62.5 t80 -109.13 167.32 10.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.641 ' CE ' ' CZ ' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -134.87 135.38 41.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 4.3 t -139.28 138.08 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -111.45 149.97 30.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -113.56 121.35 43.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.461 ' CD1' ' HB1' ' A' ' 99' ' ' ALA . 46.1 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.471 ' CB ' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.557 0.218 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.98 119.39 31.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.566 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.504 HG23 ' CG ' ' A' ' 94' ' ' HIS . 1.1 mt -90.84 132.93 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.59 178.03 8.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.538 HG13 ' CD1' ' A' ' 49' ' ' TRP . 3.0 mt -88.69 140.81 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -138.78 122.23 17.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -117.76 114.3 23.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 71.78 -69.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -39.88 104.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.96 104.97 1.66 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -56.79 4.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -59.06 -25.61 63.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 t -73.8 -46.38 47.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -73.11 -47.1 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.3 -39.03 56.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.83 -43.38 96.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.562 HG13 ' CZ ' ' A' ' 48' ' ' PHE . 69.5 t -69.54 -26.71 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -69.2 -12.87 62.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 54.86 89.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -87.01 -55.85 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -172.53 104.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 177.71 162.15 27.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 53.39 3.32 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 175.31 39.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 64' ' ' LYS . 10.6 mm -118.66 131.6 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.572 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 46.1 m -117.78 139.1 51.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -119.58 128.35 53.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.572 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 16.7 m-90 -103.35 166.54 10.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 107.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.419 ' CA ' ' SG ' ' A' ' 60' ' ' CYS . 22.8 p -142.19 143.14 32.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.15 134.05 55.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.471 ' O ' ' CB ' ' A' ' 1' ' ' MET . 6.1 m95 -124.26 139.01 54.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -153.63 75.88 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.67 -129.68 5.26 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.17 -1.5 15.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -131.35 160.3 35.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -64.02 130.95 46.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.451 ' CB ' ' HG2' ' A' ' 53' ' ' GLU . . . -78.92 -37.52 39.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.409 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 130.4 -156.97 21.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' CA ' ' A' ' 50' ' ' SER . 0.0 OUTLIER 170.19 -161.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.55 -137.0 2.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.97 158.96 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 49' ' ' TRP . 2.1 tt -164.35 114.91 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 4.5 tttt -121.64 142.15 50.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -74.75 141.33 44.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.402 ' CD1' ' HG2' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -115.85 -68.03 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.96 -158.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.3 p -79.58 -47.88 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 105' ' ' GLU . 31.9 ptt180 -127.97 32.62 4.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -147.14 126.41 13.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.78 -167.47 11.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.402 ' HG2' ' CD1' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -148.15 152.4 37.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.784 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.4 mp -117.58 146.18 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -156.74 147.08 21.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.7 OUTLIER 82.85 117.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.983 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.9 ttt -160.32 111.07 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.16 134.49 54.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 83.3 m -56.73 -107.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.63 125.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 40.4 40.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.64 -70.84 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -124.86 137.56 54.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.6 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.59 160.14 40.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' A' ' 85' ' ' LYS . 0.1 OUTLIER -90.73 158.97 16.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.344 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 84' ' ' ARG . 0.4 OUTLIER 82.45 -66.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 127.21 101.71 1.16 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -74.92 -59.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.62 -31.16 24.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -65.67 -34.27 77.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' A' ' 53' ' ' GLU . 0.3 OUTLIER -71.71 -48.01 50.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.1 t -57.2 -49.11 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.508 ' HB3' ' CE2' ' A' ' 127' ' ' PHE . 0.2 OUTLIER -55.48 -50.04 70.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -38.09 79.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.504 ' CG ' HG23 ' A' ' 3' ' ' ILE . 2.9 t60 -73.99 -32.61 63.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -44.2 98.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.424 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 45.0 mt -70.4 -40.72 77.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.86 -44.42 73.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.518 ' HG3' ' CE2' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -57.75 -50.57 72.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.349 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.84 -31.52 72.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.77 -32.85 74.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.59 -53.02 31.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -41.31 77.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.75 69.55 1.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -87.96 154.66 20.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 0.721 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -63.86 -44.48 92.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 149' ' ' LYS . 0.0 OUTLIER -161.45 160.27 29.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 96' ' ' ILE . 9.0 mt -108.18 121.51 45.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.7 p -101.02 168.5 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.568 ' CD2' ' CD1' ' A' ' 124' ' ' TYR . 0.9 OUTLIER -161.12 178.35 9.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -104.63 113.8 27.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.4 131.57 9.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.84 45.12 0.66 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.8 p 50.98 51.13 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.02 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.458 ' HA ' ' CE ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -100.82 136.28 40.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.56 -29.02 35.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.6 t -72.23 -31.63 66.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -124.24 40.98 3.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.1 tt0 -70.76 -51.0 12.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.98 -19.94 17.39 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.515 ' O ' ' CD2' ' A' ' 124' ' ' TYR . . . -60.74 -51.16 70.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 118' ' ' GLU . 3.4 ptm180 -63.05 -33.83 76.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -71.81 -36.82 70.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.8 tp -75.51 -35.48 60.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.568 ' CD1' ' CD2' ' A' ' 109' ' ' LEU . 10.8 m-85 -67.71 -52.0 42.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.471 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.3 OUTLIER -61.17 -30.65 70.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.9 t -70.82 -12.71 61.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -95.29 -14.41 23.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.16 -35.13 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 24.6 m-85 -40.15 139.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.99 148.81 50.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.467 ' CE1' ' HB ' ' A' ' 145' ' ' VAL . 7.6 m-85 -60.39 144.44 50.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.9 -176.06 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -39.21 158.68 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.412 ' HA ' ' CG ' ' A' ' 146' ' ' PHE . 18.1 Cg_endo -75.04 175.57 11.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 136' ' ' ALA . 5.2 m-85 -159.28 -41.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 135' ' ' PHE . . . -50.98 -178.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.37 33.55 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.404 ' O ' ' O ' ' A' ' 139' ' ' GLY . 0.9 OUTLIER -111.75 13.86 21.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . 37.84 -157.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -80.07 159.72 26.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 176.34 136.02 0.19 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.29 21.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -113.5 56.48 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.7 m -167.15 149.1 5.97 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.467 1.104 . . . . 0.0 109.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.467 ' HB ' ' CE1' ' A' ' 131' ' ' TYR . 9.1 m -114.48 165.77 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.445 ' CG ' ' O ' ' A' ' 145' ' ' VAL . 83.5 m-85 -159.66 137.54 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.471 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.9 OUTLIER -140.35 146.07 37.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 12.4 t -121.39 154.66 36.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 31.6 tptt -101.3 142.49 32.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -100.33 116.53 32.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.469 0.176 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 109.19 18.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.615 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.523 HG22 ' CG ' ' A' ' 94' ' ' HIS . 34.3 mm -118.82 137.01 54.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -145.26 174.4 11.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.2 mt -105.84 127.24 61.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -116.37 131.09 57.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.89 100.87 7.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 57.62 174.69 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 64.29 151.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.21 102.43 2.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -55.69 31.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -55.25 -34.03 63.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.472 ' HA ' ' CD1' ' A' ' 57' ' ' LEU . 97.1 t -74.86 -45.31 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.08 -52.84 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -50.69 -50.17 55.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.957 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.36 -47.25 82.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.96 -34.78 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -73.39 -43.97 59.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 61.6 125.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -95.94 -34.2 11.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 109.284 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -95.12 55.82 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.29 177.32 31.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.54 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -46.22 -43.35 15.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.0 mt -105.81 154.67 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.472 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 32.5 m -130.85 139.25 50.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CZ ' ' O ' ' A' ' 61' ' ' GLY . 2.2 t80 -111.96 118.05 34.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 63' ' ' LEU . 21.1 m-90 -93.08 138.73 31.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 107.985 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.5 m -139.16 131.94 29.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.491 ' HB1' ' CD1' ' A' ' 3' ' ' ILE . . . -94.1 140.58 29.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.519 ' CA ' ' HB2' ' A' ' 58' ' ' ALA . 21.0 m95 -124.48 123.59 40.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 107.987 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.43 ' CB ' ' HB1' ' A' ' 58' ' ' ALA . 1.1 tp10 -137.04 76.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.07 -127.76 7.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.25 15.45 19.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.83 170.36 16.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -61.72 145.0 53.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.519 ' HB2' ' CA ' ' A' ' 52' ' ' TRP . . . -112.92 -19.32 11.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.434 ' N ' ' HB2' ' A' ' 51' ' ' ALA . . . 172.91 136.09 2.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.2 p -133.65 155.62 49.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.562 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . . . 172.26 -164.55 37.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.2 162.73 34.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 49' ' ' TRP . 1.9 tt -160.92 117.38 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.435 ' N ' ' HZ2' ' A' ' 74' ' ' LYS . 3.3 tttt -121.51 142.61 49.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 143.39 56.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mt -119.75 -63.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -137.97 179.47 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 t -52.27 -33.56 42.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -141.95 44.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -139.88 138.89 36.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.572 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.61 161.41 27.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.85 151.97 33.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 110.347 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.2 mp -122.65 143.32 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.435 ' HZ2' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -138.0 46.88 2.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.6 t -171.06 104.81 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.95 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.408 ' HG3' ' CB ' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -136.32 105.45 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -114.27 134.39 54.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.6 m -153.89 152.38 30.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.448 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.6 t 59.93 61.96 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.951 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.04 81.42 8.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.08 -59.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 174.44 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.561 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 84' ' ' ARG . 19.3 tp -132.32 157.4 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.419 ' N ' ' HG ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -91.13 158.99 16.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.0 mptt 67.99 -177.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . -105.71 127.78 9.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 53.0 t -74.77 -61.05 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.408 ' CB ' ' HG3' ' A' ' 76' ' ' MET . . . -69.46 -30.21 68.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -48.35 71.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 7.1 mm100 -56.7 -42.21 78.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.409 ' CG1' HD11 ' A' ' 95' ' ' ILE . 3.4 t -75.34 -53.39 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.522 HD22 ' CG ' ' A' ' 127' ' ' PHE . 31.7 tp -47.55 -46.74 28.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -46.54 72.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.529 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 81.0 t60 -69.4 -41.22 76.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.542 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.409 HD11 ' CG1' ' A' ' 91' ' ' VAL . 13.8 mt -58.97 -47.65 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.49 HD12 ' CE2' ' A' ' 127' ' ' PHE . 53.4 mt -63.93 -34.36 67.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -38.14 72.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -62.64 -47.12 85.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.74 -31.39 68.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.2 -44.61 97.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.167 . . . . 0.0 110.335 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -52.31 65.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.06 -35.92 82.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.6 60.78 2.04 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -69.2 -173.42 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 111.035 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.89 -42.67 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.19 160.67 24.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.5 tp -117.99 121.8 41.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.04 168.6 9.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.609 ' O ' ' CE1' ' A' ' 146' ' ' PHE . 1.6 pp -168.27 174.73 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -96.79 134.7 39.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.567 ' HA ' ' CD1' ' A' ' 117' ' ' PHE . 5.9 t -173.67 135.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.452 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 145' ' ' VAL . . . -124.46 -134.2 4.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.2 p -128.09 31.13 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.48 ' HA ' ' CE ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -89.68 175.63 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.64 -27.37 58.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.2 t -77.14 -30.58 55.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 111' ' ' THR . 13.9 m-85 -96.64 -28.4 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.479 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.2 OUTLIER -38.81 -55.94 2.56 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -75.0 -35.81 2.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.42 75.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.556 ' HA ' ' CD2' ' A' ' 124' ' ' TYR . 5.0 ttp-105 -65.29 -33.47 76.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -27.41 65.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -28.07 62.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.556 ' CD2' ' HA ' ' A' ' 121' ' ' ARG . 23.0 m-30 -75.55 -53.34 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.54 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.9 pp20? -54.33 -27.7 37.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.03 -17.25 47.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.522 ' CG ' HD22 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -99.26 -17.68 17.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.473 ' O ' ' CG ' ' A' ' 149' ' ' LYS . . . 113.34 66.66 0.48 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 9.9 m-85 -133.51 125.71 29.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -97.72 153.85 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -72.63 142.08 48.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.45 -171.05 3.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.331 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -69.68 159.83 82.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.97 7.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.799 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.574 ' HB2' ' CE1' ' A' ' 146' ' ' PHE . 0.2 OUTLIER -108.64 -40.64 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -43.39 161.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -41.8 -43.81 3.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -50.18 125.54 12.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -89.64 170.78 37.15 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -43.5 161.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.435 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.2 OUTLIER 179.65 174.46 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.3 Cg_endo -75.02 1.99 7.14 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -155.53 79.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.23 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 33.6 p -141.45 142.28 33.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 112' ' ' GLY . 14.0 m -146.27 172.18 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.609 ' CE1' ' O ' ' A' ' 109' ' ' LEU . 47.8 t80 -161.78 167.42 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.586 ' O ' ' CE2' ' A' ' 146' ' ' PHE . 3.2 mmt -136.21 146.71 47.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.1 t -139.33 135.64 33.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -108.02 130.75 55.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.77 121.76 36.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mtt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.515 0.198 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 52' ' ' TRP . 42.8 m-70 -60.48 108.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.515 HG23 ' CG ' ' A' ' 94' ' ' HIS . 5.2 mm -119.49 136.94 55.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -143.94 174.57 10.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.574 HG12 ' CD1' ' A' ' 49' ' ' TRP . 6.6 mt -105.73 135.94 41.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -106.5 128.72 54.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -125.03 100.92 6.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mp 56.07 167.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 71.1 170.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.65 109.29 2.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -72.95 -56.33 5.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -63.4 -29.56 70.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.6 t -74.54 -40.69 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -74.41 -47.11 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.19 -35.48 49.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mp -67.18 -36.44 81.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.8 t -72.8 -46.85 51.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -56.02 -36.85 68.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.32 107.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -96.57 -35.09 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.584 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -158.66 75.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 176.38 -177.24 47.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -42.46 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -46.8 -29.89 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.1 mt -113.97 136.45 50.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.454 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 87.8 m -114.42 136.04 53.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER -117.3 130.3 56.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.003 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CD1' HG12 ' A' ' 5' ' ' ILE . 17.6 m-90 -104.38 141.15 36.85 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.7 m -134.22 125.68 28.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.447 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -91.9 130.73 37.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.568 ' CZ3' HD12 ' A' ' 57' ' ' LEU . 2.1 m95 -125.14 136.31 53.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 107.955 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.445 ' N ' ' HB1' ' A' ' 58' ' ' ALA . 2.1 tp10 -146.16 76.54 1.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.25 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.86 -126.18 7.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.42 8.08 21.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.279 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -127.47 159.98 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.568 HD12 ' CZ3' ' A' ' 52' ' ' TRP . 3.9 mm? -69.47 124.37 23.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.445 ' HB1' ' N ' ' A' ' 53' ' ' GLU . . . -88.38 6.89 35.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.475 ' HA2' ' CG2' ' A' ' 87' ' ' VAL . . . 135.07 159.81 8.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.5 p -145.99 158.59 43.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.598 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . 170.63 -179.11 42.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -155.0 175.75 13.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.566 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 1.5 pp -157.79 114.79 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -90.25 141.73 28.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -62.38 152.89 32.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.408 ' CD1' ' CG ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -134.58 -68.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.461 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -133.23 179.62 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.7 p -60.05 -30.05 68.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -136.3 40.14 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 2.4 t-160 -147.43 140.25 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.542 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -145.81 170.08 27.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.446 ' OE2' ' NZ ' ' A' ' 74' ' ' LYS . 16.1 pt-20 -134.31 176.79 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.46 HG12 ' CB ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -114.54 113.47 43.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.446 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 3.2 mmpt? -104.67 117.58 34.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.35 129.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.5 ttt -172.64 103.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -147.19 159.13 43.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 59.1 m -93.27 148.08 22.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.09 -53.12 4.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.038 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -168.78 34.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.94 33.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -140.48 40.7 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 tt -127.33 156.66 41.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.95 97.09 5.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.94 -54.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.0 90.81 1.64 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.475 ' CG2' ' HA2' ' A' ' 59' ' ' GLY . 1.9 t -67.45 -61.22 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.21 -32.1 73.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.4 ' HG3' ' CD2' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -64.75 -47.78 76.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 3.8 mm-40 -60.46 -48.65 80.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.79 -55.22 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.575 HD21 ' CD1' ' A' ' 127' ' ' PHE . 12.2 tp -47.48 -41.99 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -49.03 71.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.515 ' CG ' HG23 ' A' ' 3' ' ' ILE . 3.0 t-160 -67.46 -40.3 85.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.576 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 mt -57.19 -47.77 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.561 HD13 ' CE1' ' A' ' 127' ' ' PHE . 67.4 mt -67.64 -36.12 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -45.23 80.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.29 -47.08 82.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.443 ' HB3' ' CD1' ' A' ' 104' ' ' TYR . . . -69.81 -33.58 72.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.94 -33.7 74.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.04 -50.85 25.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -37.5 85.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.86 67.23 1.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.443 ' CD1' ' HB3' ' A' ' 99' ' ' ALA . 14.3 m-85 -79.47 -176.79 5.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 0.795 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -114.16 -31.0 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.98 156.59 19.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.65 118.16 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.56 ' OG ' ' CD2' ' A' ' 135' ' ' PHE . 9.5 m -100.82 169.28 9.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.46 ' CB ' HG12 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -164.35 169.89 16.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 110' ' ' GLU . 4.2 pt-20 -100.68 102.91 14.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.458 HG23 ' CD1' ' A' ' 109' ' ' LEU . 68.1 p -102.08 -133.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.467 ' O ' ' CG2' ' A' ' 145' ' ' VAL . . . 135.01 -170.04 23.03 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.464 1.103 . . . . 0.0 110.96 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.1 t -114.91 51.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.976 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.562 ' HB2' ' CD2' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -98.13 172.76 7.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.506 ' O ' ' CD ' ' A' ' 119' ' ' PRO . . . -75.78 -39.51 56.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.8 t -77.85 -16.81 58.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.562 ' CD2' ' HB2' ' A' ' 114' ' ' MET . 6.2 m-85 -99.68 -39.26 8.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.508 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.3 OUTLIER -37.49 -57.39 1.48 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -74.97 -27.84 9.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.548 1.815 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.07 -51.64 67.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.36 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 122' ' ' LYS . 14.0 ptt180 -59.7 -32.48 70.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.451 ' N ' ' HG2' ' A' ' 121' ' ' ARG . 0.3 OUTLIER -67.14 -28.39 68.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 123' ' ' LEU . 0.5 OUTLIER -73.16 -42.66 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.522 ' HB3' ' CG ' ' A' ' 129' ' ' PHE . 7.5 m-85 -63.18 -51.41 66.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.492 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 28.5 mt-10 -50.5 -38.98 47.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.4 t -62.02 -13.22 23.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.039 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.575 ' CD1' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -98.36 -17.65 18.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 127.4 -22.82 5.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 149' ' ' LYS . 12.6 m-85 -36.13 152.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -132.1 162.92 29.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.402 ' O ' ' SG ' ' A' ' 132' ' ' CYS . 0.6 OUTLIER -88.15 145.26 26.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 131' ' ' TYR . 0.9 OUTLIER 177.85 175.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 108.256 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -41.78 151.33 0.32 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.569 ' HG3' ' CE1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -75.0 -166.0 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.472 1.775 . . . . 0.0 110.95 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.56 ' CD2' ' OG ' ' A' ' 108' ' ' SER . 35.2 m-85 -169.5 -39.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -38.47 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -173.31 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -68.87 126.78 30.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -103.91 -149.55 20.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.5 161.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.76 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 179.37 158.63 0.72 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -16.35 20.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -152.65 78.78 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.18 133.18 3.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.496 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 12.5 m -107.06 169.98 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 134' ' ' PRO . 13.5 m-85 -140.12 131.83 27.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 111.073 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.492 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 1.3 ttm -123.54 148.06 46.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.46 156.99 47.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.576 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . 7.9 tmtm? -116.56 137.7 51.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.25 124.39 51.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.51 0.195 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -164.48 109.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.57 ' HB ' ' CD2' ' A' ' 94' ' ' HIS . 1.6 mp -118.36 136.99 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -127.17 176.52 7.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.7 mt -110.78 110.81 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -109.7 136.44 49.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -121.72 103.33 8.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 43.02 75.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -169.01 143.65 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.45 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.75 114.68 3.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -66.88 -53.99 26.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.5 -32.22 73.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.516 HG22 ' CH2' ' A' ' 52' ' ' TRP . 15.0 t -73.74 -48.97 37.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 t -67.14 -39.27 82.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -60.03 -44.99 94.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.028 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.96 -44.25 96.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.509 HG11 ' CZ ' ' A' ' 48' ' ' PHE . 3.8 t -66.32 -23.39 31.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -83.63 -66.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 2.9 pt-20 -177.91 105.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -92.49 -57.28 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.576 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 mp -77.0 -59.91 2.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 47.28 53.36 10.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.58 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.3 p -54.79 159.9 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -81.24 157.69 25.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.9 p -106.66 140.75 39.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.92 6.61 16.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ttt -160.31 117.29 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.2 p -144.94 95.57 5.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 152.82 40.91 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.494 1.786 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.04 5.47 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.955 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -173.21 -67.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 p -156.39 86.96 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 tt -107.04 42.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -162.58 70.2 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.621 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.88 121.88 3.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -140.78 -62.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.18 56.27 0.1 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 mp -57.55 -54.22 49.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.777 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -84.9 54.21 3.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -130.53 -70.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.536 HD23 ' CE2' ' A' ' 48' ' ' PHE . 3.6 mp -66.29 -36.57 83.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -85.75 62.7 7.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.91 -174.45 14.07 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 176.37 10.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 39.09 46.61 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.251 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.9 mm -130.62 139.2 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.534 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 45.4 m -137.19 131.21 32.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.536 ' CE2' HD23 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.03 124.2 49.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.567 ' CH2' HD22 ' A' ' 63' ' ' LEU . 8.8 m-90 -98.45 130.18 45.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.011 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -100.62 157.94 16.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.51 116.32 16.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.516 ' CH2' HG22 ' A' ' 13' ' ' VAL . 11.7 m95 -115.6 118.73 33.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.47 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 4.6 tt0 -111.34 76.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.74 -131.42 9.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.97 -10.41 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.255 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.88 161.59 19.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -67.53 144.4 55.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.491 ' O ' ' CG2' ' A' ' 87' ' ' VAL . . . -103.33 -32.33 9.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.426 ' N ' HD23 ' A' ' 57' ' ' LEU . . . 163.86 -169.73 38.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.23 -175.11 4.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.39 151.15 11.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.86 153.7 26.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.567 HD22 ' CH2' ' A' ' 49' ' ' TRP . 3.2 tt -155.98 126.68 6.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.87 136.89 51.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.51 144.48 54.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mp -126.27 -67.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.14 -176.53 3.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 t -65.8 -29.44 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -140.21 35.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -133.99 133.39 41.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.598 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.91 155.36 21.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.28 141.03 35.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.408 HG12 ' CG2' ' A' ' 95' ' ' ILE . 2.9 mp -118.47 144.4 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -150.24 65.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER 165.72 136.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.458 ' HE2' ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER 174.97 130.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -115.74 157.05 24.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.421 ' O ' ' CB ' ' A' ' 79' ' ' SER . 93.5 m -153.77 159.79 42.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.395 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 78' ' ' THR . 0.6 OUTLIER 80.31 -68.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.026 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 56.69 -155.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.41 -65.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 172.48 72.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.631 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 pp -130.59 150.43 51.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.28 132.87 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 tttt 178.26 -65.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.94 58.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 49.1 t -48.29 -60.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.98 -40.97 70.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -59.33 -44.55 92.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.72 -50.57 72.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.69 -54.95 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.56 HD22 ' CD1' ' A' ' 127' ' ' PHE . 13.2 tp -47.03 -33.03 4.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -43.27 87.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.57 ' CD2' ' HB ' ' A' ' 3' ' ' ILE . 10.8 t-80 -69.96 -33.14 71.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.408 ' CG2' HG12 ' A' ' 73' ' ' ILE . 27.6 mm -60.85 -50.87 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.561 HD12 ' CE2' ' A' ' 127' ' ' PHE . 65.9 mt -67.92 -43.16 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.78 -48.09 83.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -54.65 -44.92 73.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.466 ' HB3' ' CG ' ' A' ' 104' ' ' TYR . . . -70.78 -30.86 67.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -46.12 88.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -50.77 72.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -57.61 -42.36 83.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.84 49.68 0.72 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.466 ' CG ' ' HB3' ' A' ' 99' ' ' ALA . 3.3 m-85 -89.48 163.06 15.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -136.13 11.31 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.59 150.65 19.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.55 129.82 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.8 m -100.94 167.23 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.563 HD11 ' CD1' ' A' ' 124' ' ' TYR . 2.2 pt? -158.15 162.76 37.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 11.9 pt-20 -105.05 109.64 21.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.6 p -126.27 -167.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.05 -94.23 0.11 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.405 ' O ' ' OG ' ' A' ' 113' ' ' SER . 21.7 p -179.19 80.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.539 ' HA ' ' CE ' ' A' ' 114' ' ' MET . 0.2 OUTLIER -136.08 173.9 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.14 -36.2 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.34 -25.85 46.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' GLU . 6.1 m-30 -94.96 -32.46 13.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 114' ' ' MET . 0.8 OUTLIER -37.64 -53.84 2.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -75.03 -37.48 1.99 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.81 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.9 -43.52 69.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -64.72 -32.99 74.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -35.62 65.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.422 ' CD1' HD22 ' A' ' 92' ' ' LEU . 2.3 tm? -63.21 -45.52 91.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.563 ' CD1' HD11 ' A' ' 109' ' ' LEU . 34.3 m-85 -63.6 -50.92 67.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.456 ' CG ' ' HE3' ' A' ' 147' ' ' MET . 1.4 mm-40 -58.68 -21.64 55.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.0 t -85.06 -12.34 53.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.561 ' CE2' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -98.5 -17.07 18.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 115.34 55.11 0.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 9.7 m-85 -114.33 131.63 56.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 0.755 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -116.81 150.46 38.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -58.78 148.77 28.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.15 -168.23 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.73 140.73 97.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.483 ' HB3' ' CG ' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -75.03 159.34 41.37 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.488 1.783 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.491 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 8.8 t80 -161.43 -88.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 39.79 -156.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -101.76 39.1 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -154.15 -177.44 6.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -115.82 159.47 13.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.56 170.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -171.84 165.61 4.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -22.8 14.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -124.58 62.23 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.0 m -158.07 128.96 6.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.961 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 2.8 m -115.69 147.34 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.483 ' CG ' ' HB3' ' A' ' 134' ' ' PRO . 16.9 m-85 -139.0 153.86 48.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.456 ' HE3' ' CG ' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -151.83 174.21 13.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.3 t -139.1 151.25 46.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -98.72 124.23 43.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -108.0 114.44 28.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.506 ' O ' ' CD2' ' A' ' 2' ' ' HIS . 2.6 mmt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.504 0.192 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 1' ' ' MET . 6.5 m170 -165.08 108.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.569 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.509 HG23 ' CG ' ' A' ' 94' ' ' HIS . 18.4 mm -119.33 137.13 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -144.97 176.31 9.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.567 HG12 ' CD1' ' A' ' 49' ' ' TRP . 16.3 mt -108.35 133.53 53.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -115.9 126.68 54.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -123.3 105.3 9.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp 65.58 -77.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' ASP . 1.0 OUTLIER -39.69 137.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.13 90.67 0.97 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.147 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -56.0 26.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 0.0 110.32 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -60.98 -31.16 70.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.423 ' CG2' ' CH2' ' A' ' 52' ' ' TRP . 25.1 t -73.38 -52.93 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -63.15 -42.0 94.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.4 m -57.14 -39.65 75.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.952 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.78 -36.15 78.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.467 HG22 ' CE1' ' A' ' 48' ' ' PHE . 92.5 t -77.47 -24.02 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -87.91 0.02 56.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.515 ' CG ' ' NH1' ' A' ' 77' ' ' ARG . 1.9 mt-10 68.47 85.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -93.28 -45.28 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.39 -58.51 7.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -89.19 158.05 18.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.623 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.55 154.39 21.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.77 156.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -167.43 145.92 4.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.43 171.52 10.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.44 141.62 39.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.06 133.78 93.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 167.65 26.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -164.92 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.13 91.46 8.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 m 58.2 174.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.7 mt 68.55 9.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 179.08 101.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.623 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.03 -148.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.8 tp -147.64 -117.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.9 46.42 0.26 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 mp -59.83 -44.22 94.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -80.38 2.27 25.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -77.09 -76.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.99 -47.44 24.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.74 65.38 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.62 -174.18 26.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.29 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.78 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -41.06 -50.09 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.4 mt -100.82 136.4 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.601 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 86.1 m -97.36 140.08 32.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.389 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -117.6 130.53 56.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.681 ' CZ3' ' CD2' ' A' ' 63' ' ' LEU . 10.3 m-90 -111.63 133.98 53.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 107.994 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.4 m -136.28 128.26 29.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.5 ' CB ' ' CD1' ' A' ' 3' ' ' ILE . . . -86.51 136.06 33.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.423 ' CH2' ' CG2' ' A' ' 13' ' ' VAL . 5.5 m95 -120.8 122.19 39.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 107.99 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -131.33 80.69 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.52 -130.02 6.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.0 -12.28 16.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -124.21 160.21 28.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.96 138.32 57.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.5 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -87.83 -34.15 18.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.428 ' N ' ' CD2' ' A' ' 57' ' ' LEU . . . -171.24 -179.62 42.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.147 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.4 m -143.39 174.8 10.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 166.47 154.91 8.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -144.9 172.64 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.681 ' CD2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 pp -161.9 134.24 5.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.69 135.7 49.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -48.41 147.81 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.455 ' CD1' ' HG3' ' A' ' 72' ' ' GLU . 7.0 mt -138.6 -86.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -109.49 -172.83 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.3 p -73.45 -18.58 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -146.45 21.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 3.5 t60 -124.4 141.61 51.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.619 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.78 164.87 26.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.455 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 11.0 mt-10 -141.71 142.0 33.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 110.303 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.87 123.8 63.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.446 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -121.2 38.12 4.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.3 t -168.36 113.53 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.58 100.4 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.515 ' NH1' ' CG ' ' A' ' 19' ' ' GLU . 3.9 tpt180 -120.35 117.5 27.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 m -99.51 177.6 5.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.365 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.9 t 61.55 86.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.01 -72.69 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 p -155.15 36.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 71.73 102.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.589 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 tt -141.22 153.63 45.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -118.8 96.95 5.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -179.85 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 145.86 84.39 0.06 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 6.6 t -60.57 -60.93 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 0.731 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.05 -31.88 70.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.54 -43.95 88.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -56.93 -45.76 82.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.2 t -75.07 -43.38 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.566 HD22 ' CD2' ' A' ' 127' ' ' PHE . 21.8 tp -58.29 -55.21 37.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -39.35 75.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.509 ' CG ' HG23 ' A' ' 3' ' ' ILE . 2.1 t60 -68.59 -46.55 69.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.547 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.2 mt -54.48 -48.58 69.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.664 ' CD1' ' CE1' ' A' ' 127' ' ' PHE . 96.3 mt -57.99 -44.12 86.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -40.69 96.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.442 ' HG2' ' CE1' ' A' ' 94' ' ' HIS . 15.5 mm-40 -55.69 -49.11 73.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.549 ' HB3' ' CD2' ' A' ' 104' ' ' TYR . . . -66.72 -35.74 80.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -39.14 86.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -40.9 69.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -39.68 29.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.63 53.16 0.68 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.549 ' CD2' ' HB3' ' A' ' 99' ' ' ALA . 4.9 m-85 -74.48 163.32 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.6 7.65 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.06 154.0 19.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.42 122.42 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.0 m -108.88 156.35 19.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.985 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.568 ' CD2' ' CE1' ' A' ' 129' ' ' PHE . 0.7 OUTLIER -136.91 172.39 13.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -104.56 106.92 17.6 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 145' ' ' VAL . 9.8 t -154.6 124.93 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -126.31 28.14 4.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 m 59.06 51.57 7.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.031 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -93.93 148.02 22.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.948 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.63 -35.37 60.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 20.1 m -70.36 -46.24 64.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -107.19 41.7 1.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.48 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 1.6 mt-10 -69.03 -56.06 9.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -75.01 -18.22 18.88 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.21 68.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.545 ' HA ' ' CD2' ' A' ' 124' ' ' TYR . 6.5 ptt-85 -66.12 -32.12 73.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 2.1 mtpt -65.36 -37.26 86.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.97 -30.65 71.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.545 ' CD2' ' HA ' ' A' ' 121' ' ' ARG . 12.8 m-30 -73.92 -50.04 21.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.425 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 12.5 mt-10 -51.31 -39.16 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -11.52 42.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.664 ' CE1' ' CD1' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -96.45 -17.31 20.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 120.49 -7.29 11.39 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.568 ' CE1' ' CD2' ' A' ' 109' ' ' LEU . 9.8 m-85 -53.8 131.21 39.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.93 151.4 41.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -61.2 139.73 58.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.45 -174.2 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.93 151.91 0.49 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.548 ' HB3' ' CD2' ' A' ' 146' ' ' PHE . 18.2 Cg_endo -74.97 120.36 6.04 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -114.54 -172.17 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . 67.69 172.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -51.29 -31.85 22.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -66.36 154.03 41.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -151.35 -150.11 5.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -42.21 163.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.51 172.3 0.44 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.11 7.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -157.49 82.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.5 p -140.79 139.12 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.585 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 3.1 m -111.37 175.74 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 145' ' ' VAL . 90.4 m-85 -163.71 150.65 12.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.425 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.2 OUTLIER -154.74 160.56 41.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 t -133.08 157.21 45.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 129' ' ' PHE . 3.5 tmtm? -114.91 141.0 48.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 149' ' ' LYS . 5.4 ttpp -113.33 122.01 46.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mtm . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.524 0.202 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -50.25 108.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.624 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.567 HG23 ' CD2' ' A' ' 94' ' ' HIS . 12.7 mm -118.81 124.83 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 3' ' ' ILE . 17.1 mttt -160.09 177.91 10.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.505 HG12 ' CD1' ' A' ' 49' ' ' TRP . 3.3 mt -100.81 140.71 19.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.41 ' N ' HG22 ' A' ' 5' ' ' ILE . 12.3 t70 -126.94 130.88 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -120.88 101.03 7.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp 40.31 81.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 m -161.67 98.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.46 117.14 3.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -49.4 -40.82 37.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 0.728 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -59.22 -34.29 72.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.0 -43.24 67.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.478 ' CG1' ' CE1' ' A' ' 34' ' ' HIS . 32.9 t -68.38 -49.77 63.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -33.3 32.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mp -65.49 -39.55 92.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.453 HG23 ' CZ ' ' A' ' 48' ' ' PHE . 43.6 t -74.57 -39.25 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -65.12 -15.25 62.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 47.79 95.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -91.44 -53.22 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.579 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mp -57.97 -58.61 7.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.44 113.86 25.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.7 t 67.0 131.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.047 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.09 95.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 t -117.2 9.01 13.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.423 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.76 158.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.0 166.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.37 145.03 1.51 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.71 26.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.98 33.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.466 1.772 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -95.87 43.5 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.1 p -118.63 54.61 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ALA . 43.7 mm 61.14 151.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.478 ' CE1' ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -41.1 97.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -130.69 81.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -137.78 -68.14 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.77 60.04 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -40.3 -72.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 46.45 63.04 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -177.35 -69.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.411 HD22 ' CB ' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -97.93 54.09 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.18 83.3 2.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.67 156.26 24.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -13.23 21.43 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.454 1.765 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.04 50.46 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.9 mm -115.47 136.41 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.6 ' CG2' ' CH2' ' A' ' 49' ' ' TRP . 52.8 m -121.74 137.32 54.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -121.48 123.61 42.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.979 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.6 ' CH2' ' CG2' ' A' ' 47' ' ' THR . 10.4 m-90 -98.28 147.49 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 107.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 m -140.65 135.76 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.487 ' O ' ' CB ' ' A' ' 58' ' ' ALA . . . -106.03 131.87 52.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.559 ' CZ3' HD13 ' A' ' 57' ' ' LEU . 3.2 m95 -115.55 128.31 55.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 107.985 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.419 ' N ' ' HB3' ' A' ' 58' ' ' ALA . 6.4 tt0 -135.54 76.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.84 -132.18 10.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.59 1.181 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -108.98 7.37 25.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.575 ' OE2' ' CE1' ' A' ' 82' ' ' HIS . 4.7 pt-20 -125.82 164.05 21.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.559 HD13 ' CZ3' ' A' ' 52' ' ' TRP . 3.4 mm? -67.79 119.96 13.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.502 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -73.57 -42.17 61.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.24 -174.06 46.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.8 p -150.85 161.71 42.16 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.463 ' HA3' ' CG1' ' A' ' 91' ' ' VAL . . . -163.07 176.4 39.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' CB ' HD22 ' A' ' 41' ' ' LEU . . . -158.89 147.96 18.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.555 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -155.94 115.12 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -104.77 136.03 45.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -59.58 142.33 52.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.42 -58.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -118.88 177.65 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -53.73 -32.89 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.441 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -142.09 44.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.46 ' CE1' ' OG ' ' A' ' 108' ' ' SER . 12.4 t-80 -138.26 139.96 39.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.98 150.91 20.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -133.43 135.56 44.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 0.783 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.1 mp -93.15 146.93 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.73 43.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.2 t -164.79 120.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -155.66 64.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.435 ' NH1' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -122.16 134.94 54.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 96.5 m -87.45 149.29 24.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.1 t -53.54 -58.36 7.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -154.44 -167.87 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.11 63.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.575 ' CE1' ' OE2' ' A' ' 56' ' ' GLU . 25.0 m-70 -93.33 -173.78 3.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.596 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -62.06 159.32 14.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 153.46 19.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.31 59.16 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.17 -49.2 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.152 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 23.7 t -69.8 -61.05 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' A' ' 123' ' ' LEU . . . -70.61 -33.54 71.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -45.22 92.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -50.51 72.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG1' ' HA3' ' A' ' 61' ' ' GLY . 67.7 t -66.37 -41.18 88.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.13 -50.91 71.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -32.77 69.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.567 ' CD2' HG23 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -70.02 -54.77 11.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.592 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.5 mt -53.34 -46.52 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.529 HD13 ' CZ ' ' A' ' 127' ' ' PHE . 46.2 mt -57.97 -52.85 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -41.41 79.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.549 ' HG3' ' CZ2' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -55.46 -44.96 76.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.34 -30.86 66.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.49 -47.44 55.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -31.17 71.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.404 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -81.52 -42.69 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.17 57.01 1.52 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.459 ' HB2' ' CD1' ' A' ' 151' ' ' LEU . 7.0 m-30 -79.15 178.48 8.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -97.83 -38.31 9.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -163.03 156.03 19.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mt -114.82 123.06 48.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.46 ' OG ' ' CE1' ' A' ' 70' ' ' HIS . 32.1 m -100.96 164.88 11.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.554 HD22 ' CD1' ' A' ' 124' ' ' TYR . 2.4 pp -159.59 147.63 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -104.67 103.06 12.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.8 t -112.33 -45.69 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 41.77 28.57 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.409 ' HA ' ' NH1' ' A' ' 121' ' ' ARG . 1.2 p 52.55 34.68 16.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 0.74 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -76.34 154.03 35.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.71 -30.31 71.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -77.07 -24.63 51.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.057 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -120.09 25.81 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.7 mt-10 -65.99 -50.7 50.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -75.03 -29.84 7.75 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' A' ' 124' ' ' TYR . . . -58.35 -47.41 83.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.504 ' HD2' ' CZ ' ' A' ' 131' ' ' TYR . 21.7 ttp-105 -63.0 -38.53 91.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -72.89 -32.75 65.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.458 ' CD1' ' HB1' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -77.39 -28.74 52.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.554 ' CD1' HD22 ' A' ' 109' ' ' LEU . 3.8 m-85 -73.81 -52.57 12.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.423 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.0 OUTLIER -57.03 -29.51 63.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.35 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.1 t -70.09 -14.87 62.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.529 ' CZ ' HD13 ' A' ' 96' ' ' ILE . 13.9 t80 -99.25 -17.27 18.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 133.99 -34.33 2.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.608 ' CZ ' ' CB ' ' A' ' 149' ' ' LYS . 4.3 m-85 -36.95 141.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -131.2 163.78 26.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.504 ' CZ ' ' HD2' ' A' ' 121' ' ' ARG . 6.0 m-85 -70.32 143.75 51.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.2 m -147.76 -178.38 6.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.452 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 4.0 mt-10 -57.09 168.17 0.95 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.69 30.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.461 ' HB3' ' CE2' ' A' ' 146' ' ' PHE . 32.8 t80 -173.71 -44.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -41.34 -68.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.28 26.28 2.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 50.44 -174.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 40.42 -154.4 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.12 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.1 173.49 9.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -133.22 116.14 14.19 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.08 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -139.48 69.13 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.57 138.97 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.997 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.488 HG23 ' CE2' ' A' ' 131' ' ' TYR . 29.6 m -116.95 143.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 135' ' ' PHE . 35.9 t80 -98.42 166.91 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.423 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 1.9 ttt -147.75 135.2 20.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.3 t -139.05 157.14 46.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.608 ' CB ' ' CZ ' ' A' ' 129' ' ' PHE . 6.2 tmtm? -135.87 152.26 50.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -114.02 115.37 27.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 104' ' ' TYR . 27.5 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.531 0.205 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.27 109.08 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.579 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.464 ' CG2' ' CD2' ' A' ' 94' ' ' HIS . 2.9 mt -104.1 131.72 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.64 176.15 10.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.526 HG13 ' CD1' ' A' ' 49' ' ' TRP . 5.3 mp -74.47 139.35 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -110.79 127.22 55.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.88 114.97 19.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 68.4 -78.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 m -38.56 151.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.424 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.83 84.15 1.64 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -54.95 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -34.6 68.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.566 HG22 ' CH2' ' A' ' 52' ' ' TRP . 42.6 t -74.78 -42.23 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 t -67.22 -52.35 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.47 -35.03 38.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 tt -64.84 -36.99 86.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.0 -39.92 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -59.14 -69.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.95 69.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -87.1 -54.02 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.585 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.8 mt -76.33 -55.54 5.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 179.97 -177.42 0.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.2 m 63.37 120.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.0 ttm -73.4 -59.89 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -91.95 107.97 19.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 110.452 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 27' ' ' MET . 0.5 OUTLIER -53.5 110.58 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.481 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER 80.16 150.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -155.03 97.22 2.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.59 8.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 167.26 27.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 75.13 73.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 p -72.21 59.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -93.3 1.15 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -158.69 43.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 66.38 130.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.6 tp -43.48 -59.48 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.44 58.93 0.22 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 mp -67.83 -50.12 58.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.45 -4.55 37.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.77 -74.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -73.93 -33.46 63.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -90.14 57.79 3.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.12 153.29 20.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 53.44 3.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -178.52 51.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 64' ' ' LYS . 16.1 mm -138.44 131.49 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.499 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 16.0 m -107.27 127.87 53.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.416 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -109.29 117.61 34.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.612 ' CH2' ' CD2' ' A' ' 63' ' ' LEU . 10.5 m-90 -89.89 141.42 28.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -129.28 156.35 44.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.402 ' CB ' HD11 ' A' ' 3' ' ' ILE . . . -129.57 121.28 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 57' ' ' LEU . 5.5 m95 -112.34 126.59 55.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 58' ' ' ALA . 1.1 tt0 -124.15 77.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.55 -133.42 10.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.29 -15.18 23.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.36 148.37 43.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -54.85 150.08 10.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 53' ' ' GLU . . . -99.9 -26.39 14.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.42 ' N ' HD23 ' A' ' 57' ' ' LEU . . . 172.39 -170.28 43.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.3 p -146.96 162.08 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' TRP . . . -163.65 161.65 34.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.416 ' HB1' ' CE1' ' A' ' 48' ' ' PHE . . . -132.76 159.47 39.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.612 ' CD2' ' CH2' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -160.31 123.36 3.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.462 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 9.1 tttp -117.54 133.31 56.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -64.39 139.3 58.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.37 -84.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' OD2' ' N ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -93.36 179.79 5.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.6 p -61.94 -27.53 68.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.55 43.81 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -150.89 147.98 27.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.619 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -156.75 167.51 33.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' O ' ' CE ' ' A' ' 74' ' ' LYS . 15.0 tt0 -142.18 138.98 31.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.753 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.7 mp -90.63 145.01 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.495 ' CE ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -118.84 -91.71 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -51.96 126.2 17.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.483 ' CG ' ' O ' ' A' ' 76' ' ' MET . 0.7 OUTLIER 173.81 75.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -152.61 161.13 43.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -161.42 142.95 11.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.1 69.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -134.2 -72.35 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.71 -41.42 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.028 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 66.77 93.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 84' ' ' ARG . 3.1 tm? -76.78 154.17 34.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.535 ' N ' ' CD1' ' A' ' 83' ' ' LEU . 2.5 ptt180 -94.58 96.92 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -174.79 -63.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 156.95 66.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 t -61.6 -61.03 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.24 -31.89 72.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -66.52 -41.07 89.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 0.3 OUTLIER -61.66 -54.59 40.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.5 t -57.72 -52.33 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.475 ' HB3' ' CE2' ' A' ' 127' ' ' PHE . 5.6 tt -50.24 -46.42 54.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -47.3 81.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.464 ' CD2' ' CG2' ' A' ' 3' ' ' ILE . 5.1 t60 -61.83 -41.68 98.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.575 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.6 mm -53.52 -50.12 51.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.457 HD11 ' CD2' ' A' ' 92' ' ' LEU . 70.3 mt -64.22 -49.26 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -37.47 71.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.51 ' HG3' ' CE2' ' A' ' 49' ' ' TRP . 3.1 tm-20 -62.32 -50.86 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.65 -30.76 71.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.29 -37.11 80.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -74.11 -24.42 59.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -90.04 -28.42 19.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.18 57.87 4.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -83.27 174.0 11.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -89.72 -37.33 14.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -162.88 160.47 25.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.7 mt -114.36 118.14 33.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 82.9 p -103.19 158.78 16.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' ' 124' ' ' TYR . 4.3 pp -175.61 173.03 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.19 116.97 33.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.8 t -160.59 112.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.379 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -98.91 -122.51 4.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.1 m -143.52 16.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.789 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -52.85 148.98 6.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.45 -34.17 56.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.87 -38.8 57.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -107.38 37.77 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.6 mt-10 -73.21 -52.52 5.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.97 -13.64 21.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.51 69.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 20.1 ptt-85 -71.56 -36.54 70.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.5 OUTLIER -67.75 -35.3 78.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.334 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 119' ' ' PRO . 13.1 tp -61.62 -45.06 95.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.569 ' CE2' HD13 ' A' ' 109' ' ' LEU . 14.3 m-85 -62.23 -44.14 97.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.44 ' CD ' ' CE ' ' A' ' 147' ' ' MET . 1.7 mm-40 -59.84 -33.18 71.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.0 t -82.17 -23.99 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -91.85 -16.84 26.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 124' ' ' TYR . . . 106.65 96.4 2.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 1.4 m-85 -151.75 160.26 43.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -106.33 156.81 18.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -111.69 118.64 36.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 111.045 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 45.1 m -151.9 179.75 8.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.284 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -54.62 166.82 0.67 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.488 ' HA ' ' CG ' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -75.02 138.43 22.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 136' ' ' ALA . 39.0 t80 -124.62 -44.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -39.08 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 138' ' ' TYR . 10.0 t0 -157.56 -55.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 137' ' ' ASP . 8.0 m-85 -37.22 156.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.93 -151.4 5.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 111.066 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.19 161.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.297 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.42 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.4 OUTLIER 169.41 174.06 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . 0.421 ' O ' ' ND2' ' A' ' 143' ' ' ASN . 18.2 Cg_endo -75.05 -27.93 9.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 142' ' ' PRO . 12.3 m-80 -159.94 75.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.4 t -136.76 131.44 33.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 32.7 m -132.4 -177.34 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.515 ' CG ' ' N ' ' A' ' 147' ' ' MET . 27.4 t80 -143.84 167.1 23.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.515 ' N ' ' CG ' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -152.33 141.84 21.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.015 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.539 ' C ' ' CD2' ' A' ' 129' ' ' PHE . 1.7 t -137.96 152.32 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -105.96 130.1 53.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.1 111.89 24.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mmt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.503 0.192 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -165.18 107.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.607 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.569 HG22 ' CE1' ' A' ' 94' ' ' HIS . 11.7 mm -120.04 137.5 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -149.37 175.56 11.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.1 mt -109.34 140.63 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -119.0 121.99 41.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -124.73 101.89 7.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 7' ' ' ASP . 0.6 OUTLIER 37.46 88.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -176.47 -37.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.2 70.43 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 15' ' ' SER . 10.9 ptt180 -48.69 -33.6 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -68.98 -36.12 77.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.568 HG21 ' CH2' ' A' ' 52' ' ' TRP . 8.4 t -75.37 -51.38 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.7 t -64.4 -30.82 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -50.85 -33.45 23.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.982 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 16' ' ' LEU . 2.8 mm? -62.95 -33.77 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.4 t -81.66 -31.22 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -77.99 -0.67 28.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 75.6 69.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -92.35 -42.58 9.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.661 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -75.9 -61.0 2.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.403 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 169.48 172.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.612 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.8 p -176.92 174.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.9 ttm -44.65 130.94 6.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.2 t -77.36 123.06 26.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.08 144.78 39.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.5 -56.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.71 153.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 172.31 16.59 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 105.61 2.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.7 81.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.3 m 66.03 50.14 1.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.957 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -55.81 113.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.454 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 2.4 t60 61.65 160.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 34' ' ' HIS . . . 80.28 55.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.3 tp -86.71 -63.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.19 63.82 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -40.29 -85.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.747 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 50.2 44.7 26.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -144.84 -52.07 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.404 HD22 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -89.94 42.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -158.54 28.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.1 -170.55 12.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.84 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.67 -31.65 48.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 64' ' ' LYS . 10.9 mm -98.98 158.79 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.569 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 18.3 m -144.37 125.91 14.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.382 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.404 ' CE1' HD22 ' A' ' 41' ' ' LEU . 3.6 m-85 -99.17 121.56 41.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.57 ' CZ3' ' HG ' ' A' ' 63' ' ' LEU . 12.0 m-90 -100.3 129.94 46.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 108.015 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.7 p -115.83 163.86 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.416 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -139.93 134.81 32.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.568 ' CH2' HG21 ' A' ' 13' ' ' VAL . 35.7 m95 -116.79 123.05 46.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 107.973 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.422 ' N ' ' HB3' ' A' ' 58' ' ' ALA . 45.8 tt0 -131.18 76.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.53 -127.73 6.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.27 -4.8 15.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -127.2 158.01 38.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.555 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -59.19 126.68 28.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.479 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -71.18 -40.33 71.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' HD21 ' A' ' 57' ' ' LEU . . . 169.1 -158.29 30.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 t -157.85 177.03 11.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -159.71 -175.06 30.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -158.82 124.9 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.57 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -138.8 119.33 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.44 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 7.4 ttpp -105.33 146.68 29.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.64 140.07 58.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.68 -68.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -126.36 -174.97 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -70.85 -29.85 66.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 ptt-85 -134.2 32.88 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -142.76 152.89 42.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.601 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -153.85 176.2 31.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.09 151.16 31.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 0.784 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.83 122.55 70.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.35 58.05 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.39 131.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.82 92.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -144.24 139.01 28.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 179.42 -40.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.385 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.78 100.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.83 12.66 9.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.62 18.83 7.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -115.14 -7.12 12.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.603 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.5 mt -138.8 147.23 42.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' LYS . 2.4 mmt180 -113.08 96.84 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER 40.37 88.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.64 -71.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 29.9 t -48.09 -60.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.14 -43.49 61.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -56.53 -44.08 80.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -59.0 -53.4 58.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.92 -54.09 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -46.22 31.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -39.48 82.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.569 ' CE1' HG22 ' A' ' 3' ' ' ILE . 25.9 t60 -72.21 -33.39 67.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.607 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.0 mm -57.35 -48.4 82.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.416 HD12 ' CE1' ' A' ' 127' ' ' PHE . 19.9 mt -70.41 -35.25 61.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -48.95 68.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.556 ' OE1' ' CE1' ' A' ' 94' ' ' HIS . 0.3 OUTLIER -55.27 -45.15 76.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.37 -31.11 66.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -49.23 48.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -23.41 60.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.82 -42.91 15.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.59 35.65 1.54 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -75.78 158.34 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.731 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.63 11.35 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -163.19 160.47 24.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.28 152.23 28.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 m -128.47 164.35 22.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.026 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.566 HD12 ' CE2' ' A' ' 124' ' ' TYR . 0.9 OUTLIER -166.5 161.5 16.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.26 110.93 23.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.444 ' CG2' ' HB2' ' A' ' 147' ' ' MET . 14.8 t -174.56 117.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . -135.15 37.05 1.98 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.57 1.169 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 1.5 m 92.65 -4.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.0 tpt -43.03 128.4 4.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.08 -50.33 64.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.0 m -52.29 -23.85 6.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -125.27 28.56 6.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.8 tt0 -58.59 -51.25 83.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.97 -23.91 13.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.544 1.813 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.35 -49.23 70.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 7.2 ttp-105 -62.59 -41.11 98.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.47 -29.02 66.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -76.85 -35.94 57.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.566 ' CE2' HD12 ' A' ' 109' ' ' LEU . 3.4 m-85 -65.98 -52.09 52.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.474 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.2 OUTLIER -60.72 -28.56 68.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.9 t -68.25 -14.06 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.416 ' CE1' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -98.25 -17.06 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.954 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.28 -32.53 2.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 28.3 m-85 -37.99 140.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -131.76 157.48 43.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.511 ' CE1' HG22 ' A' ' 145' ' ' VAL . 3.5 m-85 -67.35 146.94 53.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.61 178.7 9.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.585 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 1.8 mt-10 -46.1 151.01 0.97 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.46 42.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.53 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 3.8 t80 -177.34 -87.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.53 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 39.83 -99.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 135' ' ' PHE . 1.5 t70 -122.43 -48.8 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -88.73 -172.75 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -115.78 -164.85 14.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.97 166.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.413 ' CB ' ' HB2' ' A' ' 144' ' ' SER . 1.4 m-20 -174.51 161.54 2.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -33.17 4.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.546 1.814 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -131.6 67.92 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -163.13 129.04 3.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.951 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.511 HG22 ' CE1' ' A' ' 131' ' ' TYR . 2.4 m -121.05 -174.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 133' ' ' GLU . 91.9 t80 -139.81 162.31 35.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.474 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 1.4 ttt -135.53 138.18 42.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.1 t -134.35 157.27 46.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 5.6 tmtm? -116.84 125.22 51.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.16 105.9 15.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.511 0.196 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -164.75 109.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.587 ' CD1' ' CB ' ' A' ' 51' ' ' ALA . 25.5 mm -118.99 136.95 54.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -145.73 174.8 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.7 mt -111.19 135.68 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -126.29 127.75 46.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -124.21 117.0 23.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 71.48 -77.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -39.58 150.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.374 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.09 104.14 2.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -56.67 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.7 -32.68 72.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.57 HG21 ' CH2' ' A' ' 52' ' ' TRP . 71.8 t -70.89 -44.94 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.4 t -71.14 -47.08 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -51.58 -35.49 41.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -42.92 86.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.9 t -66.75 -40.83 86.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -60.6 -71.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.13 101.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -56.39 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.41 -55.41 35.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.1 t60 63.33 59.48 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.618 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.9 p -47.72 145.94 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.9 mmt -57.49 156.02 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 m -40.2 -58.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 110.383 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 65.75 152.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.0 ttm -49.32 118.12 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.2 t -179.2 141.92 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.016 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 115.63 4.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.807 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 104.99 1.99 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.506 1.792 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.63 75.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.6 p 177.21 169.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.5 tt -146.52 64.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.8 m80 64.62 102.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.581 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -173.65 129.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.8 tp -127.02 -143.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 40' ' ' LYS . . . -144.6 47.82 0.75 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -40.41 -34.24 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.253 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -106.19 51.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' GLY . 4.6 mttm -140.06 -69.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.67 57.88 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -176.75 80.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.25 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.92 -171.48 35.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -46.87 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.538 1.81 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -55.44 -30.77 61.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.4 mm -99.16 128.27 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.479 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 90.4 m -111.85 135.27 52.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -113.8 119.33 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.557 ' CZ3' ' HB3' ' A' ' 63' ' ' LEU . 12.6 m-90 -97.06 133.75 41.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 108.054 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.3 m -122.04 124.62 44.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.587 ' CB ' ' CD1' ' A' ' 3' ' ' ILE . . . -99.92 126.49 46.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.57 ' CH2' HG21 ' A' ' 13' ' ' VAL . 6.8 m95 -116.17 119.66 36.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 108.017 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -126.39 76.96 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.02 -132.61 6.9 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.41 -12.04 16.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -120.37 164.61 16.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.496 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -65.45 132.38 48.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.492 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -82.67 -36.57 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.409 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 165.68 176.87 37.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -124.07 -170.38 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.59 144.87 7.13 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.92 118.87 36.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.557 ' HB3' ' CZ3' ' A' ' 49' ' ' TRP . 6.5 tt -129.87 117.22 19.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -125.86 129.17 48.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 129.73 43.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.12 -64.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.28 -173.97 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.7 p -65.84 -38.43 88.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.37 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -130.51 36.87 3.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -145.69 142.87 29.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.586 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.92 179.92 20.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.133 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -162.13 151.28 15.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.69 141.28 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.367 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.78 56.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.74 109.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.7 tpt -156.72 87.61 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.5 mmt-85 -138.95 160.15 40.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.1 p -100.17 -79.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.391 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.7 t 179.3 -37.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.67 -61.51 0.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 80.1 p -172.75 38.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -174.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.6 155.68 21.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.85 150.59 23.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.64 66.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.473 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . -174.38 -74.53 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.15 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 2.9 t -52.89 -60.99 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.63 -46.29 63.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -33.75 33.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 3.6 mm100 -66.44 -44.23 83.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.9 t -71.71 -49.09 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.542 ' HB3' ' CE1' ' A' ' 127' ' ' PHE . 0.4 OUTLIER -48.57 -52.68 21.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -44.4 77.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.533 ' CE1' HG21 ' A' ' 3' ' ' ILE . 40.3 t60 -65.1 -40.91 95.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 mp -59.35 -46.17 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.558 ' CD1' ' CE2' ' A' ' 127' ' ' PHE . 13.1 mt -68.08 -38.16 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -41.33 98.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.425 ' OE1' ' CD2' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -56.67 -46.16 81.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.71 -30.99 67.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.87 -48.62 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -52.51 42.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -42.93 81.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.06 74.53 1.24 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -90.72 -175.08 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -114.23 -31.72 6.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 149' ' ' LYS . 2.8 mpp_? -162.98 153.62 16.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.06 133.77 55.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.6 t -100.93 168.98 9.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.539 HD13 ' CE2' ' A' ' 124' ' ' TYR . 0.4 OUTLIER -164.68 154.51 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -104.72 103.14 12.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.5 p -99.13 -101.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . 111.68 -32.65 6.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 0.6 OUTLIER 89.99 34.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 109.976 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.483 ' HA ' ' CE ' ' A' ' 114' ' ' MET . 2.1 tpt -56.84 164.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.35 -45.84 68.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -16.96 59.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 117' ' ' PHE . 63.5 t80 -115.27 33.15 5.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.493 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.1 mt-10 -75.09 -51.85 3.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -75.0 -27.66 9.83 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.483 ' HB2' ' CD2' ' A' ' 117' ' ' PHE . . . -55.46 -49.55 72.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -63.78 -39.28 93.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.39 -25.07 67.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -34.76 59.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.539 ' CE2' HD13 ' A' ' 109' ' ' LEU . 9.5 m-85 -67.59 -52.28 40.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.485 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.2 pp20? -59.59 -27.62 66.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.3 t -79.83 -10.82 59.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.558 ' CE2' ' CD1' ' A' ' 96' ' ' ILE . 1.9 t80 -92.02 -17.12 25.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 134.93 -21.38 3.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 20.8 m-85 -55.34 140.03 40.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -127.3 149.45 50.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -58.95 137.88 57.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 2.2 m -161.69 174.53 13.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.297 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.8 132.77 2.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.566 ' HB3' ' CD1' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -75.01 155.87 42.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.41 ' O ' ' CD2' ' A' ' 138' ' ' TYR . 82.1 m-85 -129.01 -45.93 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -46.21 -63.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.47 -20.33 16.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.41 ' CD2' ' O ' ' A' ' 135' ' ' PHE . 0.7 OUTLIER 57.4 158.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 60.73 152.03 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.71 174.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.439 ' CB ' ' HB2' ' A' ' 144' ' ' SER . 5.6 m-20 -159.17 152.96 19.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -14.4 21.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -169.35 88.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.439 ' HB2' ' CB ' ' A' ' 141' ' ' ASP . 0.6 OUTLIER -173.2 137.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 30.2 m -104.93 165.87 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 134' ' ' PRO . 0.8 OUTLIER -166.78 145.11 5.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.485 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -157.08 157.53 34.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.0 t -125.79 157.03 38.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 36.7 tptt -96.46 144.69 26.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -108.26 106.38 16.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.222 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 mtt . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.499 0.19 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -148.37 145.2 27.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.605 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.523 HG23 ' CG ' ' A' ' 94' ' ' HIS . 3.9 mt -90.33 128.72 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.48 176.92 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.532 HG13 ' CD1' ' A' ' 49' ' ' TRP . 2.1 mp -81.71 120.86 34.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -124.53 152.85 42.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 8' ' ' LEU . 5.2 t0 -124.04 100.93 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' ASP . 3.8 mp 40.25 88.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -145.86 98.75 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.83 117.02 4.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -47.81 68.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -57.89 -33.04 68.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.535 HG21 ' CH2' ' A' ' 52' ' ' TRP . 19.9 t -72.13 -41.49 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -72.06 -47.71 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -33.44 28.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.967 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.469 ' CD1' ' HA2' ' A' ' 59' ' ' GLY . 4.0 tt -68.03 -39.77 83.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 t -70.75 -25.59 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -80.92 -18.25 47.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 41.64 86.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -83.78 -32.26 25.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.614 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.406 HD21 ' N ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -64.2 -57.59 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.406 ' N ' HD21 ' A' ' 21' ' ' LEU . 58.5 t-80 -45.51 -76.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.633 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.41 154.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.0 mpp? 59.25 111.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.43 -9.93 57.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.81 166.28 25.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -42.28 -51.17 4.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.91 167.82 15.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.52 5.68 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.502 1.791 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 151.17 39.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -125.36 -61.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 p -176.49 57.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 tt -141.68 48.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -161.95 -57.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.624 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 66.99 130.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tp -110.01 -141.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 39' ' ' GLU . . . -147.5 54.62 0.52 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.558 1.161 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 mp -44.86 -26.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 37' ' ' GLY . 3.3 mt-10 -90.45 40.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -132.66 -63.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mp -80.1 54.73 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -168.08 57.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.84 -175.73 35.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -45.0 -27.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 64' ' ' LYS . 9.0 mm -100.54 123.49 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.406 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 75.6 m -102.86 135.35 44.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -111.09 117.8 34.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.559 ' CZ3' ' HG ' ' A' ' 63' ' ' LEU . 16.8 m-90 -93.38 122.64 36.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.0 m -93.52 168.63 10.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -156.83 135.02 11.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.535 ' CH2' HG21 ' A' ' 13' ' ' VAL . 42.6 m95 -126.99 116.04 20.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 107.981 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.72 80.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.07 -131.5 10.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.49 17.09 24.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -126.86 130.28 49.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -50.86 110.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.75 -45.03 86.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' ' 16' ' ' LEU . . . 149.92 -127.43 2.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -167.21 175.77 7.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' TRP . . . -151.46 154.26 25.45 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 75' ' ' SER . . . -151.42 133.57 15.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.74 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.559 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -151.1 120.88 7.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -104.8 129.43 53.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.21 142.0 17.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -117.69 -59.25 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -127.64 -168.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.3 p -65.25 -38.13 89.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 -134.75 48.59 2.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.465 ' CE1' ' OG ' ' A' ' 108' ' ' SER . 19.9 t-80 -147.15 138.1 23.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.578 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.62 150.5 20.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.2 131.22 48.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.446 ' CD1' ' N ' ' A' ' 73' ' ' ILE . 3.2 mp -98.21 146.78 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.83 32.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.459 ' HB3' ' CB ' ' A' ' 62' ' ' ALA . 4.1 t -170.76 121.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 76' ' ' MET . 1.2 ppp? -178.7 34.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 161.06 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.405 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 70.9 m -80.95 -106.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.25 -74.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -174.18 70.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.59 25.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -70.75 -173.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.569 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -60.97 159.64 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.01 148.32 37.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -169.87 -45.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.56 42.22 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 78' ' ' THR . 1.4 t -62.99 -61.28 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.56 75.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.467 ' HD3' ' CE1' ' A' ' 127' ' ' PHE . 0.7 OUTLIER -63.18 -40.18 96.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.416 ' NE2' HD13 ' A' ' 3' ' ' ILE . 3.2 mm100 -56.87 -44.07 81.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.1 t -73.03 -50.23 33.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.434 ' CD1' HD13 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -52.41 -50.75 61.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -43.53 73.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.523 ' CG ' HG23 ' A' ' 3' ' ' ILE . 3.2 t-160 -61.04 -42.65 98.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.408 ' CD1' HG22 ' A' ' 73' ' ' ILE . 61.8 mt -64.39 -49.61 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.434 HD13 ' CD1' ' A' ' 92' ' ' LEU . 65.6 mt -58.37 -44.59 88.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -45.13 79.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.495 ' OE1' ' CD ' ' A' ' 102' ' ' ARG . 1.2 tm-20 -56.79 -50.86 71.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.27 77.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.42 ' HG2' ' CD2' ' A' ' 151' ' ' LEU . 0.7 OUTLIER -66.44 -37.39 85.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -79.93 -32.88 40.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.582 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -70.89 -43.43 68.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.25 55.48 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 102' ' ' ARG . 16.2 m-30 -89.32 177.96 6.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -47.67 7.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.407 ' HA ' ' CD1' ' A' ' 151' ' ' LEU . 0.1 OUTLIER -163.25 159.55 22.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.28 117.21 33.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.465 ' OG ' ' CE1' ' A' ' 70' ' ' HIS . 81.5 p -101.65 168.03 9.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.447 HD12 ' CE2' ' A' ' 124' ' ' TYR . 0.7 OUTLIER -174.33 162.84 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -83.83 123.78 30.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.9 t -148.54 -176.86 5.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.59 -159.9 23.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.8 m -111.92 -4.12 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 118' ' ' GLU . 4.7 tpt -51.01 146.98 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.68 -33.85 61.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.3 m -70.22 -35.68 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -109.66 27.41 9.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.0 OUTLIER -74.84 -53.58 3.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.98 -17.4 19.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.21 -51.47 66.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.541 ' HA ' ' CD2' ' A' ' 124' ' ' TYR . 17.7 ptt180 -67.18 -35.39 79.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -61.62 -46.75 88.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -53.23 -43.22 67.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.541 ' CD2' ' HA ' ' A' ' 121' ' ' ARG . 13.1 m-30 -62.75 -50.16 72.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.407 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 45.5 mt-10 -54.8 -33.27 61.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.2 t -65.34 -14.24 60.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.467 ' CE1' ' HD3' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -98.24 -16.13 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 108.57 -1.86 32.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 0.3 OUTLIER -41.01 159.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 111.047 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -121.4 159.28 26.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.417 ' CE2' ' HE1' ' A' ' 147' ' ' MET . 13.6 m-85 -94.7 150.41 20.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.74 -176.26 5.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 108.272 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 10.6 mt-10 -57.78 151.41 42.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.245 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.13 23.88 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.601 ' CE2' ' CE1' ' A' ' 146' ' ' PHE . 0.1 OUTLIER -155.58 -164.12 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.528 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 80.87 -168.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.92 -39.24 25.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -95.76 136.48 36.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -116.42 -162.77 13.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -42.35 158.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 0.727 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.429 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.7 OUTLIER 173.63 173.99 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.1 Cg_endo -75.05 1.56 7.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -166.71 80.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 53.9 p -153.4 136.73 15.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 5.4 m -148.0 151.82 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.601 ' CE1' ' CE2' ' A' ' 135' ' ' PHE . 15.8 t80 -122.38 146.18 47.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.417 ' HE1' ' CE2' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -120.68 142.22 49.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.466 ' C ' ' CD2' ' A' ' 129' ' ' PHE . 9.1 t -137.27 142.61 41.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 16.5 tptt -100.78 131.36 46.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 149' ' ' LYS . 3.9 ttpt -94.14 112.99 24.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.42 ' CD2' ' HG2' ' A' ' 100' ' ' GLU . 1.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HG3' ' CB ' ' A' ' 53' ' ' GLU . 28.2 mmt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.502 0.192 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -164.69 108.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.597 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.619 ' CG2' ' CD2' ' A' ' 94' ' ' HIS . 3.9 mm -119.92 122.53 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.12 173.33 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.57 HG13 ' CD1' ' A' ' 49' ' ' TRP . 2.6 mp -87.69 138.63 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -107.62 118.86 37.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -125.3 100.86 6.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 53.24 176.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.415 ' O ' ' CG2' ' A' ' 9' ' ' THR . 0.5 OUTLIER 71.94 12.1 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.73 76.56 0.4 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.8 -49.63 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -60.7 -29.62 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.0 t -74.11 -42.03 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.16 -48.57 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -34.61 30.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.73 -45.04 60.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.9 -24.14 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -77.68 -61.35 2.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.23 97.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.04 -58.87 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.406 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 21.3 mt -76.98 -54.03 7.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.406 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER 168.63 177.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.604 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m 69.31 162.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.025 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.07 83.18 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -147.95 125.21 11.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.02 -178.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 ptm -74.2 175.59 7.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.5 p -103.34 153.23 38.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 110.2 3.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 176.55 139.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 m -71.11 60.9 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 tt -154.37 56.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.79 60.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.54 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.83 89.58 3.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tp -118.91 -142.17 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 40' ' ' LYS . . . -141.66 43.45 1.08 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' GLY . 6.9 mp -40.17 -31.57 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 37' ' ' GLY . 25.1 mt-10 -96.55 48.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 37' ' ' GLY . 9.2 mttt -131.09 -57.77 1.02 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.43 HD22 ' CB ' ' A' ' 62' ' ' ALA . 6.7 mp -66.84 -49.62 65.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -78.47 61.08 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.64 167.02 12.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.16 8.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 5.9 tt0 -107.56 54.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.4 mm -126.09 136.11 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.575 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 17.9 m -121.78 125.76 47.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 61' ' ' GLY . 2.9 m-85 -106.08 117.26 33.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.583 ' CZ3' ' HB3' ' A' ' 63' ' ' LEU . 20.2 m-90 -90.06 132.27 35.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.053 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.6 m -123.0 163.38 20.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.039 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.96 130.86 43.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.475 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 2.3 m95 -119.6 116.74 26.64 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.464 ' HG2' ' CB ' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -142.88 76.2 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.344 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.1 -128.02 2.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.0 -9.32 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -141.17 177.25 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.49 134.64 57.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.493 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -82.39 -36.57 26.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' CD2' ' A' ' 57' ' ' LEU . . . 177.08 -175.86 47.84 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -141.47 -174.26 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.601 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . -178.26 164.22 32.79 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . . . -131.86 127.34 36.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 0.734 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.583 ' HB3' ' CZ3' ' A' ' 49' ' ' TRP . 3.0 tt -137.99 119.74 15.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -120.1 137.24 54.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.24 148.57 44.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.72 -81.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.83 -170.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.3 t -60.11 -44.07 95.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -135.8 40.88 2.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -139.26 131.11 27.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.612 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.92 170.26 23.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -149.33 154.31 38.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.9 mt -115.96 138.73 45.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.48 46.86 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.72 102.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.433 ' HE3' ' CA ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -139.83 83.51 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -123.44 135.8 54.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.4 m -68.37 -83.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.25 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -117.42 -69.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER 163.49 -29.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.52 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 8.3 p-80 -135.58 111.52 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 109.597 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.91 159.71 41.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.417 ' O ' ' CB ' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -90.76 155.25 18.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 84' ' ' ARG . 0.2 OUTLIER 81.75 -67.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 131.44 110.0 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.434 1.084 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 68.8 t -73.87 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.433 ' CA ' ' HE3' ' A' ' 76' ' ' MET . . . -52.21 -42.65 63.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -55.23 -44.25 75.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 5.3 mm100 -62.05 -54.03 47.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.0 t -57.63 -53.83 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.82 -49.89 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -42.5 91.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.619 ' CD2' ' CG2' ' A' ' 3' ' ' ILE . 5.2 t-160 -56.91 -49.75 74.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.627 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 mp -56.74 -50.26 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.63 ' CD1' ' CE1' ' A' ' 127' ' ' PHE . 63.8 mt -59.78 -51.98 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -41.87 71.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.429 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 5.3 tp10 -62.63 -51.03 68.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.09 -31.13 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.78 -45.93 90.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -51.83 67.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -34.82 75.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.98 57.1 3.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -70.76 -173.72 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -108.08 -35.97 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -162.94 161.08 25.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.462 HD12 ' CD1' ' A' ' 151' ' ' LEU . 3.3 mt -123.44 118.22 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 m -106.98 168.86 8.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.479 HD12 ' CE2' ' A' ' 124' ' ' TYR . 0.3 OUTLIER -173.51 -175.7 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.446 ' HA ' ' CB ' ' A' ' 136' ' ' ALA . 12.6 pt-20 -95.72 128.08 42.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.0 m -146.42 143.83 29.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.91 -107.47 0.58 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.7 p 179.33 50.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 110.055 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.0 142.57 27.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.8 -31.61 39.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.2 p -64.57 -44.57 90.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -119.39 45.78 2.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.5 tt0 -71.23 -52.9 8.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.99 -12.63 21.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.09 -51.85 60.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 30.1 ptt85 -67.33 -32.31 73.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.6 OUTLIER -66.49 -37.82 85.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -34.84 78.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.479 ' CE2' HD12 ' A' ' 109' ' ' LEU . 14.4 m-30 -69.35 -50.2 48.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.469 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 29.1 mt-10 -49.74 -43.3 47.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.3 t -61.38 -16.83 50.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.63 ' CE1' ' CD1' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -90.91 -17.14 26.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 121.74 -16.4 8.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.565 1.165 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 5.7 m-85 -44.64 139.82 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -114.94 162.72 16.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.429 ' CD2' ' SD ' ' A' ' 147' ' ' MET . 22.4 m-85 -89.82 135.75 33.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 71.6 m -148.73 160.3 43.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.278 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -41.88 163.38 0.12 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.43 14.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.453 1.765 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 136' ' ' ALA . 76.8 t80 -132.15 -43.09 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -36.85 -62.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -172.5 -65.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -47.68 121.23 3.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -84.78 -163.72 37.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -49.49 157.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 167.69 167.23 0.13 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 0.45 8.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -156.59 78.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.433 ' O ' ' CG1' ' A' ' 145' ' ' VAL . 3.7 t -164.69 129.19 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' A' ' 144' ' ' SER . 15.9 m -154.43 144.75 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.519 ' CZ ' ' HB ' ' A' ' 148' ' ' THR . 17.3 t80 -117.32 156.85 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.469 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -131.56 143.81 50.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.519 ' HB ' ' CZ ' ' A' ' 146' ' ' PHE . 2.7 t -139.08 128.05 23.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.431 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 2.6 tmtt? -90.49 145.37 24.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.51 109.07 18.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 107' ' ' LEU . 1.2 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.544 0.212 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.92 109.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.603 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.488 HG21 ' CG ' ' A' ' 94' ' ' HIS . 3.2 mt -118.97 132.98 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -135.98 175.21 9.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.63 111.28 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.37 149.93 50.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -119.63 100.38 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HA ' ' CG1' ' A' ' 13' ' ' VAL . 0.6 OUTLIER 37.72 86.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.477 ' HB ' ' CG2' ' A' ' 13' ' ' VAL . 23.5 m -62.7 -81.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.51 ' O ' ' CG2' ' A' ' 14' ' ' VAL . . . -132.84 -125.68 2.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.07 -29.86 23.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -63.42 -49.52 73.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 9' ' ' THR . 79.4 t -73.27 -38.76 54.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 10' ' ' GLY . 3.3 t -61.66 -45.69 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.86 -46.99 74.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -44.77 77.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.69 -46.84 95.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -63.73 -70.12 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 176.68 137.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -92.82 -48.25 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.637 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.417 ' HG ' ' CB ' ' A' ' 80' ' ' ALA . 1.1 mt -70.97 -61.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -176.9 125.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.631 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -52.27 -68.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.97 165.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.2 t -141.47 137.99 32.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' MET . 0.6 OUTLIER -98.49 158.12 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 26' ' ' LEU . 4.0 ptp 42.55 -166.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.77 127.01 92.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 146.77 33.15 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -173.82 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.548 1.815 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -121.65 93.26 3.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.6 p -160.55 171.97 18.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.3 tt -71.99 65.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 77.24 -77.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.624 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 49.52 96.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.7 tm? -50.64 -53.84 27.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.19 54.0 0.46 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 mp -45.83 -89.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.306 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 51.66 28.23 4.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -123.85 -80.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.571 ' HG ' ' CZ ' ' A' ' 48' ' ' PHE . 2.6 mm? -68.68 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 38.96 81.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.69 146.12 13.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -9.42 20.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -136.89 51.84 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.6 mm -106.8 125.73 62.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.543 ' CG2' ' CH2' ' A' ' 49' ' ' TRP . 52.6 m -99.43 143.01 30.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 110.43 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.571 ' CZ ' ' HG ' ' A' ' 41' ' ' LEU . 3.0 m-85 -127.2 123.15 35.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.543 ' CH2' ' CG2' ' A' ' 47' ' ' THR . 10.4 m-90 -97.5 119.67 36.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 108.014 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.508 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 33.0 m -101.31 129.03 47.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.16 123.48 43.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.508 ' CZ2' ' HB3' ' A' ' 50' ' ' SER . 1.1 m95 -125.34 114.91 19.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 107.989 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -114.92 78.53 1.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.71 -128.74 6.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.058 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.31 -13.21 16.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -119.35 160.58 22.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.493 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -67.35 139.61 57.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.477 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -94.92 -33.77 12.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' HD23 ' A' ' 57' ' ' LEU . . . 176.25 -154.41 16.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.5 p -160.06 169.1 24.09 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TRP . . . -169.71 117.04 0.69 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.14 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.571 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . . . -114.53 153.82 29.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.524 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 3.2 pp -139.99 124.73 18.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -92.91 125.6 37.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.4 156.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.417 ' CD1' ' HB2' ' A' ' 72' ' ' GLU . 5.5 mt -139.91 -75.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.35 -175.16 3.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -57.99 -42.3 84.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.22 38.57 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -136.85 132.49 34.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.592 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.39 154.86 22.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 111.047 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.417 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 3.9 tt0 -133.88 134.03 42.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 110.287 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.4 mp -101.41 137.29 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.18 59.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.47 120.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.43 93.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.36 100.08 6.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.5 m -48.06 167.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 t -103.22 130.27 50.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.531 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -82.92 -165.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER 87.9 -20.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 70.36 81.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.635 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.9 pp -124.89 146.57 49.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -100.52 97.02 7.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -149.07 -59.91 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 118.66 61.65 0.28 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 21.6 t -62.07 -60.47 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.56 96.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -56.31 -44.57 80.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 4.9 mm100 -57.96 -50.99 71.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.74 -51.95 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.529 HD23 ' CE1' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -48.19 -52.46 20.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -49.07 75.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.488 ' CG ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -60.55 -45.53 93.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.641 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.49 -51.46 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.512 HD13 ' CD2' ' A' ' 127' ' ' PHE . 79.0 mt -63.22 -45.39 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -42.4 74.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.498 ' CD ' ' CZ2' ' A' ' 49' ' ' TRP . 4.3 mm-40 -56.84 -49.23 76.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.255 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.4 ' HA ' ' CE2' ' A' ' 104' ' ' TYR . . . -66.82 -33.78 76.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -48.39 79.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -52.4 -52.62 52.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.569 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -65.82 -41.36 91.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.65 56.62 2.33 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 102' ' ' ARG . 22.3 m-85 -76.9 -168.91 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -115.73 -34.62 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -163.08 160.94 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.444 ' CD1' ' HB3' ' A' ' 149' ' ' LYS . 0.4 OUTLIER -144.28 131.36 20.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -103.3 165.47 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.966 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.483 HD23 ' CE2' ' A' ' 129' ' ' PHE . 2.2 pp -169.63 163.7 10.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -104.92 104.09 13.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.3 t -121.35 -54.64 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 63.01 -150.93 48.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 83.2 p -139.6 51.59 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -75.79 150.35 37.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.07 -34.1 55.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.5 t -77.05 -41.78 41.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -108.01 43.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.2 mt-10 -73.21 -53.31 4.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -75.0 -21.81 15.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.95 -51.08 71.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 29.9 ptt85 -65.08 -32.22 73.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -72.57 -42.67 64.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -32.06 64.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.529 ' CE1' HD23 ' A' ' 92' ' ' LEU . 3.7 m-85 -71.63 -50.17 33.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.477 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 34.8 mt-10 -50.15 -41.8 49.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.341 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.7 t -61.79 -13.62 25.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.512 ' CD2' HD13 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -96.65 -17.35 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 131.49 -27.41 3.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 4.4 m-85 -42.5 139.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -126.6 166.45 17.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.409 ' CD2' ' HE2' ' A' ' 147' ' ' MET . 15.2 m-85 -84.14 133.39 34.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 m -136.87 179.06 6.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 108.288 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.467 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -50.58 143.45 14.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.463 ' CG ' ' HG2' ' A' ' 140' ' ' GLU . 18.2 Cg_endo -75.0 124.72 8.84 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.543 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 16.8 t80 -137.65 -87.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.543 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 40.21 -151.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -60.8 3.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -107.03 143.99 34.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 140' ' ' GLU . . . -59.13 -149.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.463 ' HG2' ' CG ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -48.78 177.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.771 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.414 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.4 OUTLIER -173.8 173.41 1.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.3 Cg_endo -74.97 -32.43 5.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -144.94 74.32 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.4 m -165.85 143.94 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 5.0 m -136.63 -177.91 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 133' ' ' GLU . 70.4 t80 -137.61 156.39 48.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.477 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -138.21 148.61 44.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.9 t -139.11 145.84 39.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.443 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 2.5 tmtm? -110.1 133.81 52.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -107.34 109.8 21.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.521 0.2 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -165.49 107.9 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.603 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.54 HG23 ' CE1' ' A' ' 94' ' ' HIS . 37.5 mm -120.29 137.63 53.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -141.34 174.57 10.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.553 HG12 ' CD1' ' A' ' 49' ' ' TRP . 47.5 mt -114.47 119.25 60.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -127.37 130.94 50.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.93 100.99 6.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 46.11 88.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -174.41 121.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.64 115.12 2.0 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.42 -29.26 15.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.754 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -71.7 -45.27 62.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.4 t -71.04 -36.07 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -71.34 -42.18 73.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 m -54.67 -35.04 63.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -43.35 96.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.99 -44.95 92.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.515 ' O ' ' C ' ' A' ' 19' ' ' GLU . 5.0 m-80 -59.12 -22.44 60.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.515 ' C ' ' O ' ' A' ' 18' ' ' ASN . 1.3 pt-20 27.62 87.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -34.95 75.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.619 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.73 -56.25 16.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.443 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 2.3 t60 -100.51 82.63 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.2 178.2 7.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 26' ' ' LEU . 8.6 mtt -76.62 -171.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.8 m 60.46 -83.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 24' ' ' MET . 0.3 OUTLIER -61.09 -161.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.241 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.6 171.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m 65.02 95.95 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 158.86 41.69 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.802 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.07 7.74 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.472 1.775 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -120.98 107.05 12.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.2 p -39.63 155.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.6 mm 64.49 140.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.01 -72.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.603 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 53.96 82.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.7 tp 64.19 137.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.59 55.63 2.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mp -41.31 -67.89 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 0.766 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -90.94 49.91 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.04 -64.82 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 46' ' ' ILE . 4.2 mm? -77.21 -28.75 53.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -79.42 59.59 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.37 165.22 26.78 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.1 18.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.564 1.823 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -95.78 48.58 1.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.452 ' CD1' HD11 ' A' ' 41' ' ' LEU . 10.1 mm -133.31 129.96 57.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.487 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 46.5 m -116.08 141.09 48.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -123.84 149.55 45.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.573 ' CH2' ' HG ' ' A' ' 63' ' ' LEU . 12.1 m-90 -127.96 123.77 35.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.0 m -110.01 137.87 47.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.053 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.469 ' CB ' ' CD1' ' A' ' 3' ' ' ILE . . . -110.87 136.69 49.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.357 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.512 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 17.1 m95 -117.26 122.25 43.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 107.999 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -131.66 76.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.84 -132.3 6.81 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.95 -4.82 21.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -133.56 154.67 50.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.512 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -53.8 133.33 42.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.49 -36.93 32.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.433 ' N ' ' CD2' ' A' ' 57' ' ' LEU . . . 171.37 -150.37 13.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.4 p 178.14 163.19 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -143.92 -174.0 15.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.41 ' CB ' ' HB2' ' A' ' 75' ' ' SER . . . -158.36 152.09 23.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.573 ' HG ' ' CH2' ' A' ' 49' ' ' TRP . 2.8 pp -155.91 134.27 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -109.6 135.37 50.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.67 152.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.405 HD12 ' ND1' ' A' ' 70' ' ' HIS . 4.7 mt -133.63 -87.05 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.443 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -119.42 179.73 4.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.3 p -55.23 -36.5 66.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 105' ' ' GLU . 0.2 OUTLIER -134.08 32.39 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.443 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 4.4 t-160 -132.34 134.31 45.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.21 171.02 24.77 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -153.97 154.38 33.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 0.813 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.1 mp -122.29 138.7 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.4 ' N ' ' HE3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -138.71 37.76 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.41 ' HB2' ' CB ' ' A' ' 62' ' ' ALA . 1.2 m -159.46 124.37 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.2 ttt -178.01 112.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -148.39 160.57 42.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.4 m -114.96 145.18 42.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.52 -61.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -132.47 158.71 41.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.49 -24.43 65.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.37 73.89 0.93 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.571 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.1 tp -124.54 157.92 34.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -91.9 154.02 19.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.64 143.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -78.15 91.52 1.13 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.2 t -50.98 -60.93 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.1 -32.21 46.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.45 ' HG2' ' CE2' ' A' ' 127' ' ' PHE . 1.0 OUTLIER -64.02 -44.43 92.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -58.27 -44.96 88.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 79.0 t -73.29 -49.99 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.565 HD22 ' CD2' ' A' ' 127' ' ' PHE . 14.5 tp -48.02 -46.89 33.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -48.56 72.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.54 ' CE1' HG23 ' A' ' 3' ' ' ILE . 39.1 t60 -63.15 -44.06 96.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.575 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 53.5 mt -59.22 -52.27 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.525 HD11 ' CE1' ' A' ' 127' ' ' PHE . 73.4 mt -57.62 -42.22 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -43.77 97.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -55.04 -47.27 75.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.569 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . . . -68.82 -31.69 70.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -23.29 65.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -77.63 -43.46 31.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -80.12 -33.79 38.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.63 57.89 2.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 99' ' ' ALA . 23.8 m-85 -64.58 -172.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -106.81 -39.86 5.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.15 161.1 24.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 149' ' ' LYS . 0.6 OUTLIER -117.48 122.27 43.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 92.7 p -105.88 168.21 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.609 ' CD2' ' CE2' ' A' ' 129' ' ' PHE . 1.0 OUTLIER -161.1 166.22 28.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -103.11 102.9 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.2 m -137.28 128.36 27.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.2 44.81 0.97 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 m 53.56 25.05 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.974 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -62.12 129.54 41.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.97 -28.52 38.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.9 p -74.34 -29.34 61.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -123.37 33.06 5.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.0 OUTLIER -56.14 -54.31 53.98 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.98 -21.45 15.89 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.77 -51.48 49.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 5.4 ppt_? -64.4 -31.04 72.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.4 OUTLIER -74.06 -33.87 63.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -73.14 -41.88 63.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.564 ' CE1' HD13 ' A' ' 109' ' ' LEU . 11.6 m-85 -61.54 -53.3 58.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.488 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.6 OUTLIER -61.57 -27.74 68.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.8 t -69.73 -11.53 60.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.565 ' CD2' HD22 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -98.33 -17.31 18.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.984 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 138.18 -30.67 2.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.609 ' CE2' ' CD2' ' A' ' 109' ' ' LEU . 9.5 m-85 -37.24 135.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -124.07 145.52 49.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -60.49 140.59 57.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -168.54 -173.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.87 141.97 1.19 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.98 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -95.31 -25.85 16.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -42.29 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -137.15 28.8 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 52.21 173.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.27 149.22 6.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -98.28 170.76 8.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -167.53 145.62 3.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.55 21.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -128.45 66.96 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.4 m -173.56 147.92 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.044 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 28.2 m -127.48 137.34 58.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.523 ' CD1' ' HB3' ' A' ' 134' ' ' PRO . 0.3 OUTLIER -133.38 148.72 51.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.95 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.488 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -158.4 165.31 34.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 10.8 t -139.34 156.93 46.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -100.62 138.92 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.58 111.1 20.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.487 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 13.3 mtt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.51 0.195 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 1' ' ' MET . 42.0 m-70 -165.02 108.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.612 ' CG2' ' CE1' ' A' ' 94' ' ' HIS . 22.6 mm -118.96 137.08 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 3' ' ' ILE . 9.3 mtpt -158.99 176.43 12.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.1 mt -87.18 141.73 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.31 127.32 40.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -124.17 153.63 41.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.97 82.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 7' ' ' ASP . 1.3 t -160.92 25.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.23 97.54 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -52.18 -26.62 11.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.765 . . . . 0.0 110.27 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -69.58 -44.04 71.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 HG21 ' CH2' ' A' ' 52' ' ' TRP . 53.9 t -71.95 -39.82 67.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -71.56 -46.45 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 22.8 t -50.66 -53.13 33.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.29 -46.09 69.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.566 HG11 ' CZ ' ' A' ' 48' ' ' PHE . 63.7 t -63.26 -43.34 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -58.09 -70.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -177.27 108.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -94.51 -45.26 7.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.622 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -59.42 2.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 62.55 100.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.599 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.5 p 179.45 78.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -146.16 164.59 31.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 p -128.36 -57.72 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.415 ' C ' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -50.14 150.48 2.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.98 160.6 39.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 p -45.84 161.09 0.26 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.5 29.07 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.547 1.814 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -135.85 -155.56 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.02 91.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.8 mt 43.13 69.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.7 m80 68.35 -74.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.617 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 73.26 130.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.3 tp -146.83 -129.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' LYS . . . -153.64 32.06 0.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mp -41.15 -35.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -107.16 49.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 37' ' ' GLY . 7.8 mttt -137.17 -69.64 0.46 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.91 -35.73 64.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -95.09 61.63 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.42 179.66 34.86 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.451 1.094 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -40.18 -34.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 47' ' ' THR . 4.2 mt -113.04 158.55 13.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.573 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 4.4 m -131.71 142.89 49.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.432 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -116.24 120.54 39.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.573 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 19.7 m-90 -98.93 138.64 35.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 107.96 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.462 ' HA ' ' CB ' ' A' ' 60' ' ' CYS . 11.8 p -123.04 170.21 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.502 ' CB ' ' CD1' ' A' ' 3' ' ' ILE . . . -135.94 120.78 18.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.473 ' CH2' HG21 ' A' ' 13' ' ' VAL . 6.9 m95 -107.59 120.38 42.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -125.15 76.76 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.15 -131.0 6.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.49 -12.09 15.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -118.73 162.38 18.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -65.28 129.67 40.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 51' ' ' ALA . . . -80.9 -39.5 26.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.422 ' N ' HD21 ' A' ' 57' ' ' LEU . . . 162.64 -166.58 36.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 17.1 p -177.98 170.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . -152.35 -176.45 25.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.18 154.19 25.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 0.741 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.561 HD23 ' CZ3' ' A' ' 49' ' ' TRP . 4.7 tt -156.93 115.25 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -122.51 140.32 52.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.97 151.18 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 -61.0 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.08 -163.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -76.13 -36.3 58.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.05 41.8 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -142.3 138.19 31.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.609 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -139.19 164.42 25.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -146.68 143.73 28.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.76 . . . . 0.0 110.281 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.437 HG12 ' CD1' ' A' ' 95' ' ' ILE . 4.7 mp -120.94 131.55 72.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -132.96 64.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.96 97.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.9 tpt -137.22 88.48 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -126.9 137.6 53.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.549 ' HB ' ' CD2' ' A' ' 82' ' ' HIS . 20.2 m -86.44 -71.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.7 t 166.75 63.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.047 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 62.11 116.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.524 ' O ' ' CG ' ' A' ' 82' ' ' HIS . 0.2 OUTLIER 75.27 -55.5 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.965 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.549 ' CD2' ' HB ' ' A' ' 78' ' ' THR . 1.5 m170 88.73 115.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 pp -72.99 158.99 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.45 104.29 16.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.08 -57.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.37 52.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.487 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 2.7 t -74.56 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.79 -34.43 65.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -46.66 87.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.366 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -57.09 -48.06 79.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.242 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.02 -49.0 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.512 HD21 ' CG ' ' A' ' 127' ' ' PHE . 6.0 tp -56.72 -51.25 69.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -37.08 66.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.612 ' CE1' ' CG2' ' A' ' 3' ' ' ILE . 12.0 t-160 -66.63 -55.19 16.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.437 ' CD1' HG12 ' A' ' 73' ' ' ILE . 26.4 mt -53.88 -43.8 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.683 ' CD1' ' CE1' ' A' ' 127' ' ' PHE . 67.4 mt -60.98 -56.04 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -37.52 67.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -48.94 79.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.403 ' HB2' ' CG ' ' A' ' 104' ' ' TYR . . . -67.45 -32.71 73.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.446 ' CG ' HD12 ' A' ' 151' ' ' LEU . 0.8 OUTLIER -63.34 -38.99 93.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -16.42 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.74 -42.98 10.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.243 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.94 47.01 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.403 ' CG ' ' HB2' ' A' ' 99' ' ' ALA . 3.8 m-85 -93.99 164.76 12.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.65 13.66 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -155.62 144.52 20.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.6 118.86 10.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.1 t -101.03 169.16 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.486 HD11 ' CE2' ' A' ' 124' ' ' TYR . 1.2 pp -148.97 163.21 38.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -103.82 104.67 14.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.426 ' CG2' HD13 ' A' ' 109' ' ' LEU . 2.2 t -144.44 140.51 29.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.437 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -147.54 36.91 1.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 p 52.97 38.69 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.062 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.84 136.99 32.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.83 -32.31 43.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.1 t -66.3 -34.23 77.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -122.49 37.5 4.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 2.3 mt-10 -65.79 -50.98 51.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.97 -22.96 14.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.99 -49.77 72.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 118' ' ' GLU . 23.1 ptt85 -67.15 -33.93 76.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -71.82 -30.29 65.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -77.19 -38.63 51.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.486 ' CE2' HD11 ' A' ' 109' ' ' LEU . 9.2 m-85 -64.89 -51.49 61.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.475 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.3 pp20? -59.44 -33.03 70.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.8 t -68.7 -11.79 60.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.683 ' CE1' ' CD1' ' A' ' 96' ' ' ILE . 2.5 t80 -98.37 -17.07 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.45 ' O ' ' NE2' ' A' ' 130' ' ' GLN . . . 136.54 -35.17 2.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.555 ' CD1' ' HB2' ' A' ' 149' ' ' LYS . 22.0 m-85 -37.95 137.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.46 HE21 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -127.81 151.93 48.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -60.32 148.13 38.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.2 m -169.72 179.66 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.336 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -49.81 149.41 4.6 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.97 162.45 37.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -145.23 -45.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -44.98 159.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.4 -49.29 5.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -52.86 139.74 26.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -107.48 179.14 22.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -43.21 166.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.11 166.93 0.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.41 9.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -150.3 75.98 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.61 132.9 3.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.59 ' C ' ' CD1' ' A' ' 146' ' ' PHE . 4.0 m -135.54 149.23 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 145' ' ' VAL . 6.1 m-85 -145.27 143.63 30.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.475 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -141.66 154.01 45.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.2 t -127.21 155.94 42.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.373 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 129' ' ' PHE . 9.7 tmtt? -111.38 144.47 40.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -110.96 107.77 17.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.446 HD12 ' CG ' ' A' ' 100' ' ' GLU . 8.0 tp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.527 0.203 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -165.03 108.55 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.706 ' CG2' ' CE1' ' A' ' 94' ' ' HIS . 12.6 mm -119.4 136.91 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 179.15 7.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.553 HG12 ' CD1' ' A' ' 49' ' ' TRP . 9.6 mt -110.44 138.19 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.408 ' CB ' ' OG ' ' A' ' 50' ' ' SER . 9.1 t70 -125.28 124.77 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -122.69 104.12 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 7' ' ' ASP . 0.6 OUTLIER 37.54 60.43 1.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -154.73 109.22 2.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.85 118.08 2.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -63.9 -53.05 56.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -60.41 -33.6 72.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.439 HG23 ' CH2' ' A' ' 52' ' ' TRP . 15.8 t -72.3 -49.45 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.19 -49.62 83.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -52.79 -40.88 63.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -38.41 80.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.7 t -75.6 -30.6 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -76.91 -69.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HG2' ' CG ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER 170.39 88.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -94.65 -56.55 2.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.618 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -60.02 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.42 ' CG ' ' HG2' ' A' ' 19' ' ' GLU . 19.0 t-160 42.26 67.06 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.636 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 t -44.34 119.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.41 150.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.9 m 62.35 123.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 pp -106.33 153.39 22.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.7 tpt 72.51 128.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.21 123.77 49.59 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 173.21 14.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.5 2.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -70.57 88.46 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 p -137.86 49.02 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.431 ' O ' ' CG2' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -79.64 116.6 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 42.37 41.79 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.588 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 68.25 132.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tp -121.69 -140.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.073 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.32 49.97 0.63 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.426 1.079 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mp -44.79 -34.88 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.262 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -88.63 44.3 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -123.08 -68.42 0.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 74' ' ' LYS . 4.3 mp -82.92 55.71 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -164.89 42.07 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.262 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.8 -176.01 21.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -47.16 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -42.53 -30.47 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.5 mm -95.5 129.32 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.568 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 93.8 m -109.33 137.97 46.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 62' ' ' ALA . 7.0 m-85 -117.6 127.81 54.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.57 ' CZ3' HD12 ' A' ' 63' ' ' LEU . 17.0 m-90 -104.52 141.0 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.408 ' OG ' ' CB ' ' A' ' 6' ' ' ASP . 71.4 m -129.01 144.15 51.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.453 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -117.45 133.36 56.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.455 ' CA ' ' HB2' ' A' ' 58' ' ' ALA . 3.8 m95 -117.43 126.14 52.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 108.032 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -135.88 77.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.37 -133.66 11.77 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.65 13.3 30.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.343 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -133.38 148.04 51.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.411 HD12 ' CZ3' ' A' ' 52' ' ' TRP . 3.2 mm? -57.06 119.01 5.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.5 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -68.06 -20.5 64.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.32 177.61 17.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.7 m -140.84 151.94 44.74 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -157.55 147.89 16.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.453 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . . . -155.34 155.68 34.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.57 HD12 ' CZ3' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -142.36 139.67 31.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -96.82 135.81 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.38 112.75 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.498 HD21 ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -93.44 -77.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.434 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 37.8 m-20 -121.49 -172.87 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.1 t -66.8 -32.56 73.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -131.35 21.03 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.498 ' CD2' HD21 ' A' ' 66' ' ' LEU . 2.6 t60 -127.13 143.45 51.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.588 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -146.92 179.99 23.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 21.6 tt0 -162.57 149.91 13.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 108' ' ' SER . 1.4 mp -91.92 120.44 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.492 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 7.2 mmpt? -120.78 43.76 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.3 t -176.5 116.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 173.11 111.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.36 114.8 11.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 96.0 m -155.31 146.31 22.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.397 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.1 t -178.12 40.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.45 150.07 25.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.6 p -107.28 33.48 3.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.034 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -104.47 -10.83 17.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.586 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mt -143.07 149.35 38.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.2 114.32 18.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.0 86.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.72 -62.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 24.7 t -62.19 -61.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.98 -31.12 71.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -46.69 73.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.15 -55.01 39.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.2 t -56.69 -48.78 80.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 50.3 tp -56.59 -45.49 81.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -36.62 78.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.706 ' CE1' ' CG2' ' A' ' 3' ' ' ILE . 8.1 t-160 -65.76 -50.62 64.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.625 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.03 -47.88 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.568 HD13 ' CZ ' ' A' ' 127' ' ' PHE . 21.4 mt -61.51 -37.88 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -52.93 60.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.458 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 1.6 mp0 -55.51 -46.36 76.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.55 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . . . -70.38 -30.57 67.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.46 -40.04 70.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -29.28 61.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -43.11 40.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.08 52.12 1.67 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.55 ' CD2' ' HA ' ' A' ' 99' ' ' ALA . 22.5 m-85 -74.21 -173.36 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -111.88 -34.58 5.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.05 158.96 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.2 mt -116.43 120.14 37.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 135' ' ' PHE . 64.3 p -101.14 169.02 9.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 124' ' ' TYR . 1.4 pp -156.82 170.0 23.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -105.48 109.8 21.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.501 ' OG1' ' CD1' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -144.27 123.33 12.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.46 53.11 0.63 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 p 42.05 53.52 4.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -105.25 134.71 47.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.53 -46.87 70.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 96.4 p -56.67 -28.53 60.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -124.91 39.32 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 2.6 mt-10 -74.92 -50.34 4.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -75.01 -27.25 10.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.0 86.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.449 ' NE ' ' OH ' ' A' ' 131' ' ' TYR . 18.3 ttp-105 -71.82 -35.13 69.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.16 -28.18 60.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -75.39 -38.91 59.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.571 ' CD1' HD23 ' A' ' 109' ' ' LEU . 4.7 m-85 -63.63 -51.99 62.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.499 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.4 OUTLIER -62.81 -28.07 69.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.7 m -62.83 -14.07 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.568 ' CZ ' HD13 ' A' ' 96' ' ' ILE . 53.8 t80 -98.95 -17.47 18.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 132.88 -26.1 3.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 149' ' ' LYS . 12.4 m-85 -34.91 131.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -102.35 147.35 26.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.523 ' CE1' ' HE1' ' A' ' 147' ' ' MET . 15.6 m-85 -79.54 83.58 5.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.445 ' O ' ' O ' ' A' ' 133' ' ' GLU . 89.1 m -153.04 157.8 41.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 108.258 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 132' ' ' CYS . 1.4 tt0 55.88 113.91 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.546 ' O ' ' CG ' ' A' ' 135' ' ' PHE . 18.1 Cg_endo -75.04 177.74 8.2 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.809 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 108' ' ' SER . 13.2 m-85 -173.64 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -40.05 154.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.66 -44.56 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -60.97 175.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -123.15 -168.54 13.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 141' ' ' ASP . 44.4 mt-10 -59.1 153.66 17.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 110.329 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 140' ' ' GLU . 7.7 m-20 163.14 161.55 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 0.27 9.07 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -129.18 58.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.3 t -151.68 178.9 8.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.435 ' C ' ' CG ' ' A' ' 146' ' ' PHE . 35.0 m -140.43 179.99 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -154.81 163.73 39.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.523 ' HE1' ' CE1' ' A' ' 131' ' ' TYR . 0.1 OUTLIER -159.57 129.17 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.048 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.6 t -139.24 148.98 43.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -120.54 146.48 46.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.4 122.38 46.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.555 0.216 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.435 ' NE2' ' HG3' ' A' ' 4' ' ' LYS . 10.0 t-160 -165.15 107.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.582 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.608 ' CG2' ' CE1' ' A' ' 94' ' ' HIS . 6.7 mm -120.2 137.42 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.435 ' HG3' ' NE2' ' A' ' 2' ' ' HIS . 5.9 mttt -143.46 177.14 8.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.57 HG12 ' CD1' ' A' ' 49' ' ' TRP . 10.9 mt -111.3 131.56 62.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -96.18 118.76 33.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 8' ' ' LEU . 4.8 m-20 -125.2 100.77 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 7' ' ' ASP . 2.8 mp 39.67 59.03 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.69 160.78 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.62 105.82 2.53 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -56.83 6.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -60.18 -30.66 69.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.633 ' CG2' ' CH2' ' A' ' 52' ' ' TRP . 2.7 t -74.69 -53.6 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.2 t -58.85 -45.68 91.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -33.08 59.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.23 -44.57 59.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.12 -23.02 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -92.7 -19.93 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.26 166.41 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -53.12 -31.26 41.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.642 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.2 -52.93 39.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 59.11 159.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.606 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.5 p -114.57 135.29 54.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.1 ptm -44.75 127.4 6.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 p -87.11 -20.81 26.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.37 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 49.76 85.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.7 ttt -39.04 145.44 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.63 162.63 52.51 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.51 16.22 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -172.79 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.451 1.764 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 62.9 63.09 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.1 p -178.85 64.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.0 mp -41.93 116.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 m80 59.5 -179.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.604 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 74.02 134.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tp -122.91 -136.1 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.65 51.57 0.54 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.64 -37.91 85.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -83.28 -6.01 59.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.84 -76.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -57.31 -36.29 70.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -96.64 57.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.6 175.1 28.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.43 9.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.441 1.759 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -60.45 -32.99 71.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.7 mt -114.4 141.15 31.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.56 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 17.7 m -107.87 139.48 42.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.74 122.34 44.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.57 ' CD1' HG12 ' A' ' 5' ' ' ILE . 17.4 m-90 -105.96 135.1 48.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 108.021 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 m -134.64 138.38 44.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.444 ' HB1' ' CD1' ' A' ' 3' ' ' ILE . . . -104.67 134.96 46.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.633 ' CH2' ' CG2' ' A' ' 13' ' ' VAL . 6.6 m95 -117.64 129.52 55.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -135.47 76.75 1.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.9 -130.15 9.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.53 3.83 27.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -123.63 -177.27 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 13' ' ' VAL . 1.1 mt -76.33 149.61 37.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.503 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -111.12 -18.17 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.463 ' HA3' ' CG2' ' A' ' 91' ' ' VAL . . . 152.16 160.37 9.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -136.27 137.45 40.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -138.44 153.95 22.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.34 152.09 41.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.552 ' HG ' ' CH2' ' A' ' 49' ' ' TRP . 1.5 pp -157.59 120.79 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -99.1 126.77 44.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -41.11 150.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.434 ' CD1' ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -140.09 -87.91 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -117.02 -175.11 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 t -70.55 -27.29 64.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -136.45 30.5 2.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.415 ' ND1' HD23 ' A' ' 66' ' ' LEU . 6.7 t-160 -135.09 137.14 42.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.578 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.14 165.49 26.62 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 5.1 mt-10 -145.5 148.95 33.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.415 ' CD1' ' O ' ' A' ' 108' ' ' SER . 3.2 mp -118.13 139.27 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.06 47.12 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.13 118.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.433 ' CE ' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -159.25 57.87 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.32 150.65 30.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.437 ' CG2' ' HA2' ' A' ' 59' ' ' GLY . 15.1 t -173.79 158.79 3.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 p 60.65 152.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.22 52.11 2.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.03 29.09 5.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.96 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -90.31 -7.45 53.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mt -116.53 150.64 37.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -101.89 97.08 7.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 48.58 -173.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.46 -61.02 1.51 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -45.89 -57.05 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.433 ' HB3' ' CE ' ' A' ' 76' ' ' MET . . . -55.65 -39.04 70.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -48.82 72.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.413 ' NE2' HD12 ' A' ' 3' ' ' ILE . 4.4 mm100 -56.97 -50.31 73.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 59.9 t -61.23 -54.81 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.51 HD23 ' CE2' ' A' ' 127' ' ' PHE . 5.8 tp -48.36 -50.87 28.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -43.56 73.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.608 ' CE1' ' CG2' ' A' ' 3' ' ' ILE . 9.2 t-160 -64.88 -39.56 93.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.646 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.0 mm -57.3 -53.78 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 100' ' ' GLU . 48.1 mt -60.76 -50.25 81.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -46.4 78.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -59.32 -46.92 87.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.468 ' HB3' ' CD2' ' A' ' 104' ' ' TYR . . . -69.73 -31.06 68.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -59.04 -33.98 71.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -52.68 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -53.57 -40.79 65.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.03 61.18 0.95 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.48 1.113 . . . . 0.0 111.054 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 102' ' ' ARG . 56.5 m-85 -97.91 165.81 11.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.747 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.8 12.16 2.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.27 136.98 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.402 ' CD1' HD21 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -138.36 139.79 39.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.415 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 59.6 p -109.67 169.13 8.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.954 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.57 ' CD2' ' CE1' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -160.11 168.83 24.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.439 ' N ' ' CD1' ' A' ' 109' ' ' LEU . 1.2 pm0 -104.96 107.38 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.6 m -157.51 125.58 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.564 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . -153.49 28.51 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 1.3 m 90.58 -14.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 110.043 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.559 ' HG2' ' CD2' ' A' ' 117' ' ' PHE . 1.6 tpt -36.08 117.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.31 -48.81 65.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -22.51 6.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.559 ' CD2' ' HG2' ' A' ' 114' ' ' MET . 25.1 m-85 -124.96 31.19 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.3 mt-10 -61.67 -50.29 82.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.98 -21.85 15.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.502 1.79 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.94 -46.87 61.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 13.2 ttp-105 -66.22 -41.68 89.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -33.31 69.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.366 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.23 -38.05 69.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.506 ' CD1' HD22 ' A' ' 109' ' ' LEU . 7.1 m-85 -71.52 -50.46 31.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.464 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 28.9 mt-10 -55.21 -25.05 30.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -21.47 61.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.51 ' CE2' HD23 ' A' ' 92' ' ' LEU . 2.4 m-85 -91.56 -17.12 26.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 117.24 -8.12 16.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 3.5 m-85 -38.21 134.44 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -124.59 166.87 15.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -80.02 137.71 36.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.483 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 0.1 OUTLIER -160.87 -164.71 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.266 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 132' ' ' CYS . 1.9 mp0 -38.64 123.4 1.16 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.99 164.61 33.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.812 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -176.1 -69.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 111.058 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . 39.64 -153.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -93.09 14.97 16.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -144.11 -147.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -140.01 163.89 26.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.97 165.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -177.03 166.6 1.36 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -8.92 20.55 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.444 1.76 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -139.72 69.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.31 178.58 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 5.7 m -150.72 171.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 134' ' ' PRO . 0.7 OUTLIER -146.87 165.48 29.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.956 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.464 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -158.16 144.53 17.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 132' ' ' CYS . 0.7 OUTLIER -139.06 148.57 43.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.411 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 9.1 tmtm? -105.91 124.03 48.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.16 103.55 13.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.402 HD21 ' CD1' ' A' ' 107' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.8 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.524 0.202 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.34 111.75 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.634 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.522 HG22 ' CG ' ' A' ' 94' ' ' HIS . 12.0 mm -116.5 136.4 53.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.81 176.74 8.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.517 HG12 ' CD1' ' A' ' 49' ' ' TRP . 41.1 mt -112.94 130.83 66.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -131.93 140.2 48.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.41 103.06 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.59 -173.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 63.92 144.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.48 117.41 4.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -55.64 31.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -66.93 -32.11 73.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.5 -49.66 68.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.5 t -69.94 -49.08 59.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -51.43 -33.08 29.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 77' ' ' ARG . 3.0 tm? -67.92 -42.91 80.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.563 HG21 ' CZ ' ' A' ' 48' ' ' PHE . 75.4 t -67.07 -44.06 88.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.68 -70.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 169.16 99.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -96.68 -51.11 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.597 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.09 -36.85 72.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -90.92 131.92 36.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.623 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 t -92.51 -173.98 3.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.9 99.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.9 t -89.92 143.72 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.408 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 pp -44.49 143.5 1.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.1 ttt -54.76 140.9 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 m -69.09 136.57 89.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.04 27.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 111.018 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -174.89 2.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.803 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -39.31 -59.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 m 175.13 83.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -159.21 39.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -143.43 -69.35 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.597 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 45.15 86.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 tp -43.81 -44.3 6.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.06 59.21 0.62 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.69 -100.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 41.84 52.45 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -143.37 -71.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.8 mp -82.68 51.95 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 178.07 69.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.21 177.71 37.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 53.96 3.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.47 -41.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 64' ' ' LYS . 1.4 mm -90.0 135.54 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.486 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 38.2 m -129.34 134.6 47.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.391 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -108.56 120.2 41.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CD1' ' CD2' ' A' ' 94' ' ' HIS . 12.2 m-90 -91.38 132.72 36.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.0 m -122.3 129.85 52.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.474 ' CB ' HD11 ' A' ' 3' ' ' ILE . . . -99.37 134.55 42.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.481 ' CE3' HD12 ' A' ' 57' ' ' LEU . 4.0 m95 -123.51 131.94 53.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.008 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.43 ' OE1' ' NE2' ' A' ' 90' ' ' GLN . 11.8 tt0 -142.82 76.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.31 -132.47 11.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.04 17.48 24.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -137.3 139.52 40.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.481 HD12 ' CE3' ' A' ' 52' ' ' TRP . 2.8 mm? -53.65 123.97 13.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.456 ' HB1' ' CA ' ' A' ' 52' ' ' TRP . . . -77.22 -15.15 59.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.57 171.63 13.93 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.438 1.086 . . . . 0.0 111.027 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 87.4 m -149.71 157.0 42.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -177.49 152.8 12.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.23 157.58 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.569 HD21 ' CH2' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -154.51 114.89 3.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -126.45 129.29 48.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -48.01 156.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 72' ' ' GLU . 3.3 mt -129.9 -65.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.28 -168.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -61.37 -42.39 98.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.0 mtt-85 -134.94 36.58 3.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -137.22 135.21 37.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.22 175.11 21.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 41.5 tt0 -148.74 159.59 43.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.754 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.407 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 1.8 mp -109.97 137.59 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 75' ' ' SER . 8.0 mmpt? -121.63 144.52 48.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 74' ' ' LYS . 58.3 m 42.04 92.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.32 98.05 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -136.78 138.55 41.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 t -80.41 -175.13 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.3 t -118.45 153.46 34.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.1 60.38 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.6 p -98.1 24.78 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 21.3 m170 65.77 47.64 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.61 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mt -116.62 159.12 22.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -126.41 105.79 9.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.32 90.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.43 -62.24 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 t -46.87 -61.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.52 -31.43 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -42.36 89.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.43 ' NE2' ' OE1' ' A' ' 53' ' ' GLU . 8.3 mm-40 -57.4 -48.98 77.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.97 -55.1 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.439 ' CD1' HD13 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -48.06 -37.17 14.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -41.86 94.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.574 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 33.7 t60 -73.41 -27.02 61.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.42 -47.23 93.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.698 ' CD1' ' CE2' ' A' ' 127' ' ' PHE . 34.3 mt -67.9 -38.64 80.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -45.97 72.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -56.38 -47.66 78.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.417 ' CB ' HD13 ' A' ' 107' ' ' LEU . . . -69.8 -32.82 71.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.76 -38.74 73.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -15.36 61.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.25 -43.08 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.6 44.47 1.14 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -95.37 168.82 10.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.48 10.75 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -163.15 160.23 23.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.417 HD13 ' CB ' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -152.72 135.4 15.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.5 p -114.49 167.74 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.413 ' CD1' ' HB ' ' A' ' 111' ' ' THR . 1.0 OUTLIER -170.26 166.4 8.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -103.42 131.63 50.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.413 ' HB ' ' CD1' ' A' ' 109' ' ' LEU . 1.4 t -163.34 -178.89 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.407 ' HA2' ' CG2' ' A' ' 145' ' ' VAL . . . -175.95 -142.97 4.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 p -116.86 0.19 12.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 0.0 109.999 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.563 ' HB3' ' CD2' ' A' ' 117' ' ' PHE . 4.5 tpt -58.74 146.64 36.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.91 -29.37 28.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.6 t -76.53 -30.71 57.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.055 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 11.6 m-85 -105.03 14.67 28.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER -75.08 -53.07 2.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.93 -44.54 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.588 ' O ' ' CD1' ' A' ' 124' ' ' TYR . . . -52.04 -34.87 45.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -79.64 -33.27 41.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.425 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 0.3 OUTLIER -75.08 -26.77 59.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 119' ' ' PRO . 2.3 tm? -76.85 -36.43 56.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 120' ' ' ALA . 7.5 m-85 -70.35 -51.69 28.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 122' ' ' LYS . 0.2 OUTLIER -59.68 -27.01 66.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -18.7 60.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.055 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.698 ' CE2' ' CD1' ' A' ' 96' ' ' ILE . 1.4 t80 -99.28 -17.21 18.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 133.83 -34.87 2.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 10.1 m-85 -33.87 135.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -120.27 153.56 36.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 146' ' ' PHE . 5.8 p90 -108.71 107.05 17.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 133' ' ' GLU . 59.3 m -101.87 -164.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 132' ' ' CYS . 2.5 pt-20 -37.09 149.77 0.16 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 159.61 41.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.588 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 3.1 t80 -172.8 -86.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.588 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 40.67 -101.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -137.87 29.56 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -151.53 -173.05 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 111.007 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -118.29 -169.97 14.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -50.28 156.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 110.318 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.1 159.35 3.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -10.38 21.21 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -148.17 69.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 34.3 m -166.47 139.05 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.407 ' CG2' ' HA2' ' A' ' 112' ' ' GLY . 22.0 m -149.08 -171.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 131' ' ' TYR . 79.0 t80 -153.55 132.31 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.26 138.17 40.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 7.2 t -139.96 133.29 29.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -101.3 132.15 46.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.245 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.84 110.8 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' HG2' ' NE2' ' A' ' 90' ' ' GLN . 3.5 mtt . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.483 0.182 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 109.08 0.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.459 HD13 ' CB ' ' A' ' 51' ' ' ALA . 24.9 mm -118.82 136.9 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -146.79 178.37 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.555 HG12 ' CD1' ' A' ' 49' ' ' TRP . 38.2 mt -108.06 133.16 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -95.17 118.76 32.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -125.09 100.95 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 55.64 168.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.407 HG21 ' N ' ' A' ' 10' ' ' GLY . 0.5 OUTLIER 64.68 168.14 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' N ' HG21 ' A' ' 9' ' ' THR . . . 100.59 92.2 2.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -50.07 72.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.16 -45.06 94.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 57' ' ' LEU . 50.4 t -58.27 -54.38 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.3 t -61.27 -48.2 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -55.8 -36.82 67.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.52 -46.77 68.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.519 HG22 ' CZ ' ' A' ' 48' ' ' PHE . 54.2 t -64.41 -31.92 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -68.05 -64.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' OE2' ' CB ' ' A' ' 23' ' ' SER . 2.8 pt-20 178.94 106.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -96.61 -58.89 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.608 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 mp -76.37 -61.08 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -142.97 178.46 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.577 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.441 ' CB ' ' OE2' ' A' ' 19' ' ' GLU . 85.5 p -123.93 129.54 51.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -178.74 129.37 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.5 m -154.07 68.42 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 110.381 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp 48.7 -175.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -118.33 172.62 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.2 p -127.65 143.98 49.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.951 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.42 18.35 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 105.27 2.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 176.09 -54.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.8 m -86.65 82.98 7.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.1 tt -79.36 0.34 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.421 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 3.0 p-80 -175.26 149.62 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.593 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 34' ' ' HIS . . . 78.72 78.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.8 tp -42.93 -58.86 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.3 51.7 0.62 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mp -59.15 -83.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 40.56 62.02 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.22 -71.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -87.69 46.74 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -170.72 75.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.249 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 174.47 166.02 31.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.44 1.087 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 53.59 3.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.778 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -138.94 -45.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 47' ' ' THR . 7.6 mt -93.36 144.98 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.563 HG23 ' CZ2' ' A' ' 49' ' ' TRP . 13.0 m -113.35 142.86 45.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.437 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.519 ' CZ ' HG22 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -117.64 123.4 46.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.643 ' CH2' ' CD2' ' A' ' 63' ' ' LEU . 18.6 m-90 -100.44 151.98 20.91 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.1 m -165.08 145.44 7.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.459 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -103.89 166.09 10.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.574 ' CZ3' HD13 ' A' ' 57' ' ' LEU . 3.1 m95 -143.81 117.74 9.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 108.016 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.45 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 2.7 tt0 -131.64 76.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.88 -129.94 8.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.76 10.8 24.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -130.15 161.84 30.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.574 HD13 ' CZ3' ' A' ' 52' ' ' TRP . 0.7 OUTLIER -68.19 121.23 15.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.45 ' HB2' ' CB ' ' A' ' 53' ' ' GLU . . . -78.94 -9.46 59.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 152.54 149.58 5.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.544 1.152 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.413 ' N ' HG22 ' A' ' 91' ' ' VAL . 25.2 p -147.1 158.92 44.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.425 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . -179.1 163.4 30.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.19 144.52 45.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.643 ' CD2' ' CH2' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -146.27 114.58 6.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HG2' ' CE ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -97.86 151.18 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.79 124.05 28.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.06 -53.8 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 70' ' ' HIS . 3.8 m-20 -145.71 -178.47 6.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.3 t -64.54 -18.09 64.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -144.94 45.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.472 ' CB ' ' OD1' ' A' ' 67' ' ' ASP . 3.0 t-160 -146.44 147.47 31.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.579 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -158.68 135.74 4.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.461 ' O ' ' CE ' ' A' ' 74' ' ' LYS . 7.8 tt0 -127.43 132.41 50.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.0 mp -98.61 145.86 9.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.461 ' CE ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -140.29 59.96 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 t 177.72 155.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 172.91 79.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -121.86 103.85 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.3 m -75.36 -97.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.72 163.83 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.02 -62.82 0.76 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 p -170.44 37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -74.5 -114.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.623 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.15 152.64 36.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 mmm-85 -106.13 123.3 47.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 40.79 87.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.4 -58.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -53.46 -59.43 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.84 76.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -60.63 -39.55 88.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.42 ' NE2' ' HG2' ' A' ' 1' ' ' MET . 6.0 mt-30 -57.44 -40.92 79.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.413 HG22 ' N ' ' A' ' 60' ' ' CYS . 25.2 t -74.84 -51.05 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.521 HD21 ' CD1' ' A' ' 127' ' ' PHE . 8.0 tp -51.58 -53.89 33.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -30.23 70.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.533 ' CE1' ' HB3' ' A' ' 49' ' ' TRP . 20.5 t-160 -68.92 -57.86 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.631 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 12.6 mt -53.3 -46.56 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.07 -37.9 64.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -43.31 87.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.03 -47.6 85.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.442 ' HB2' ' CG ' ' A' ' 104' ' ' TYR . . . -69.52 -32.91 72.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.03 -52.25 65.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -53.0 58.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -38.97 93.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . 87.51 75.46 1.28 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.442 ' CG ' ' HB2' ' A' ' 99' ' ' ALA . 3.6 m-85 -83.49 -172.29 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -110.09 -35.16 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -162.97 157.66 21.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.4 mt -117.75 134.08 55.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.7 m -101.92 166.93 10.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.075 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 129' ' ' PHE . 4.5 pp -147.43 163.05 37.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.94 103.84 13.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.521 ' O ' ' CZ ' ' A' ' 138' ' ' TYR . 15.1 t -152.73 149.57 28.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . -164.62 28.51 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 1.4 m 91.01 -16.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.7 tpt -38.9 127.16 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.72 75.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.152 . . . . 0.0 109.362 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.87 -21.25 2.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -124.77 29.93 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 6.3 mt-10 -68.65 -50.54 24.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 110.254 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.98 -20.33 17.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.18 90.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.552 ' HA ' ' CD1' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -67.68 -37.74 82.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -31.59 72.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -30.35 58.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.552 ' CD1' ' HA ' ' A' ' 121' ' ' ARG . 18.9 m-30 -73.07 -50.1 24.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.431 ' CG ' ' HE3' ' A' ' 147' ' ' MET . 3.9 mt-10 -59.93 -28.14 67.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.219 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -30.82 48.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.955 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.521 ' CD1' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -82.18 -17.0 47.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.44 82.27 1.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.569 ' CD2' HD23 ' A' ' 109' ' ' LEU . 2.3 m-85 -143.51 135.66 26.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 110.978 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -121.88 151.71 40.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -57.23 140.58 49.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.415 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 1.5 m -161.89 177.14 10.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 108.289 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -56.14 142.22 67.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 114.69 4.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.791 . . . . 0.0 111.037 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -92.87 -33.31 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 138' ' ' TYR . . . -44.72 -90.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -154.83 -61.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.521 ' CZ ' ' O ' ' A' ' 111' ' ' THR . 2.8 p90 -44.21 159.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -126.02 -162.12 11.17 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -57.89 163.62 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 167.05 172.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -22.19 15.15 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.47 1.774 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -131.12 59.14 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 31.0 t -144.09 135.04 25.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 10.3 m -134.83 153.84 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 132' ' ' CYS . 0.4 OUTLIER -157.87 148.26 20.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.431 ' HE3' ' CG ' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -158.54 160.06 36.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.7 t -136.22 155.17 50.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -102.72 132.03 49.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -96.52 117.74 31.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.49 0.186 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.18 108.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.592 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.579 ' CD1' ' CB ' ' A' ' 51' ' ' ALA . 17.3 mm -119.73 137.28 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.56 176.65 8.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.521 HG12 ' CD1' ' A' ' 49' ' ' TRP . 31.1 mt -108.97 134.52 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 9' ' ' THR . 7.6 t70 -116.5 143.99 44.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -125.22 100.56 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 7' ' ' ASP . 1.0 OUTLIER 39.18 62.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.4 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 1.2 m -160.95 160.9 31.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.18 115.07 3.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mmt-85 -63.52 -56.23 17.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -60.88 -45.09 95.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.373 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.557 ' CG2' ' CH2' ' A' ' 52' ' ' TRP . 7.2 t -61.2 -39.82 83.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.3 t -72.63 -50.78 31.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -41.39 57.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -58.63 -44.38 90.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.7 t -63.43 -49.66 81.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -61.94 -14.54 35.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 55.76 72.52 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -75.25 -44.69 44.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.612 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 80' ' ' ALA . 3.3 pp -62.15 -52.35 64.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.41 ' N ' HD13 ' A' ' 21' ' ' LEU . 14.8 t60 47.74 -173.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.65 -179.29 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -86.41 56.51 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.7 t -149.66 138.46 21.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 pp -167.49 109.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.5 tpt -179.15 -59.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.01 102.16 0.27 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.052 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 147.26 34.04 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.487 1.783 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.15 3.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -79.86 -57.18 3.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.86 175.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' HIS . 22.6 mm -101.8 126.34 55.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' ILE . 4.4 m170 39.42 59.06 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -174.89 123.35 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.6 tp -44.15 -54.6 5.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.08 55.94 0.47 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.1 mp -74.09 -77.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 0.796 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 42.08 56.81 3.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.78 -67.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 mp -51.26 -39.55 56.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -80.03 56.1 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.01 174.46 21.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.153 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.428 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -75.0 166.43 29.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 44' ' ' PRO . 15.4 pt-20 43.3 54.99 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.7 mm -111.75 133.77 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.562 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 51.9 m -134.38 140.16 46.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -119.28 123.45 44.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.567 ' CZ3' ' HB3' ' A' ' 63' ' ' LEU . 19.0 m-90 -100.32 149.29 23.76 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.9 p -144.84 151.41 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.579 ' CB ' ' CD1' ' A' ' 3' ' ' ILE . . . -113.52 149.06 34.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.572 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 14.3 m95 -143.17 116.65 9.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 108.059 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -129.8 76.64 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.84 -130.06 6.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.71 -4.97 21.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -127.81 154.84 44.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.572 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -53.16 154.1 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.35 4.71 14.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.91 154.16 6.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.7 p -145.39 155.94 43.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . 172.13 167.49 32.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.566 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . . . -116.01 172.52 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.567 ' HB3' ' CZ3' ' A' ' 49' ' ' TRP . 1.7 tt -163.59 118.23 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.3 132.05 51.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -52.57 155.57 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.45 -58.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -135.2 -169.82 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.4 t -61.19 -39.17 89.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 69' ' ' ARG . 20.1 mtm105 -137.17 42.75 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.412 ' NE2' ' OG ' ' A' ' 108' ' ' SER . 8.8 t-80 -146.08 133.06 20.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.548 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -140.28 172.02 23.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -150.1 150.94 32.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.8 mp -109.78 141.48 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.53 -106.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.9 m -47.65 131.74 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.473 ' HE1' ' CB ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 176.55 83.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.415 ' O ' ' OG1' ' A' ' 78' ' ' THR . 20.5 mtt180 -144.22 153.37 41.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 77' ' ' ARG . 3.0 m -163.95 149.86 11.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.422 ' CB ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER 172.1 -156.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.452 ' HB2' ' CB ' ' A' ' 21' ' ' LEU . . . 68.76 -168.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.7 p -74.87 63.94 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -137.26 -178.76 5.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.1 . . . . 0.0 109.589 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.8 143.73 55.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.44 157.18 34.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 mptt 41.09 88.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.501 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 149.46 -48.9 0.58 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 t -54.4 -61.11 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.473 ' CB ' ' HE1' ' A' ' 76' ' ' MET . . . -67.64 -38.45 83.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -35.2 72.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 3.4 mm100 -63.33 -44.91 93.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.5 t -68.09 -52.83 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.4 tp -48.21 -51.14 26.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -36.94 65.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.521 ' CG ' HG22 ' A' ' 3' ' ' ILE . 3.5 t-80 -68.31 -55.49 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 58.5 mt -53.24 -45.45 55.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.564 HD13 ' CZ ' ' A' ' 127' ' ' PHE . 96.4 mt -58.33 -47.61 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -43.49 98.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.53 -49.91 71.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.422 ' HB2' ' CD1' ' A' ' 104' ' ' TYR . . . -66.73 -34.89 78.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -47.04 88.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -50.53 65.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -42.45 41.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.67 53.86 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 3.4 m-85 -94.51 163.65 13.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.772 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -139.18 13.21 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.418 ' N ' ' CD1' ' A' ' 151' ' ' LEU . 0.0 OUTLIER -162.82 154.69 18.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.33 122.02 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.412 ' OG ' ' NE2' ' A' ' 70' ' ' HIS . 66.1 p -119.6 164.19 16.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.592 ' O ' ' CE2' ' A' ' 146' ' ' PHE . 1.1 pp -174.46 160.39 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.84 124.04 37.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.462 ' CG2' HD12 ' A' ' 109' ' ' LEU . 7.7 t -172.22 99.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.494 ' O ' ' CG2' ' A' ' 145' ' ' VAL . . . -83.0 -113.9 0.52 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.7 p -153.93 40.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 109.99 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.425 ' HA ' ' CE ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -80.4 145.41 32.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.73 -27.3 17.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.4 t -70.58 -38.49 74.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -120.92 40.4 3.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 2.6 mt-10 -72.89 -50.55 6.98 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -75.03 -21.22 16.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.63 -50.2 73.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 45.9 ptt85 -69.42 -33.31 72.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -69.99 -24.99 63.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.6 tp -76.49 -29.25 56.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.415 ' C ' ' HB2' ' A' ' 129' ' ' PHE . 14.0 m-30 -72.88 -52.31 15.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.47 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.2 pp20? -58.57 -26.88 64.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.27 -11.34 59.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.973 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 96' ' ' ILE . 23.6 t80 -99.47 -17.49 17.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 135.73 -33.78 2.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 11.9 m-85 -34.75 151.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.93 150.82 49.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.598 ' CE2' ' SD ' ' A' ' 147' ' ' MET . 29.5 m-85 -92.35 96.55 10.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 133' ' ' GLU . 2.7 m -145.69 141.29 27.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 108.335 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 132' ' ' CYS . 1.3 tt0 57.14 115.14 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.7 6.9 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.794 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.631 ' CB ' ' CD2' ' A' ' 146' ' ' PHE . 0.1 OUTLIER 173.01 -164.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . 70.3 -63.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 135' ' ' PHE . 0.2 OUTLIER -93.75 5.62 51.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 137' ' ' ASP . 62.6 m-85 57.51 152.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 49.64 179.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.15 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.08 177.98 8.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 174.73 155.31 0.33 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -36.62 2.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.555 1.818 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -114.9 55.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.43 133.4 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 112' ' ' GLY . 11.7 m -146.74 -173.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.631 ' CD2' ' CB ' ' A' ' 135' ' ' PHE . 81.0 t80 -153.34 167.54 29.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -138.12 146.42 42.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 11.7 t -139.31 150.44 45.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -121.44 138.3 54.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.55 103.51 11.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.418 ' CD1' ' N ' ' A' ' 106' ' ' ARG . 2.0 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.452 ' N ' ' OE2' ' A' ' 53' ' ' GLU . 39.0 mtm . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.428 0.156 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.66 108.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.593 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.566 HG22 ' CD2' ' A' ' 94' ' ' HIS . 15.5 mm -119.41 137.44 53.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.23 176.57 11.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.575 HG12 ' CD1' ' A' ' 49' ' ' TRP . 35.0 mt -111.7 133.6 56.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -127.78 142.14 51.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -124.75 101.19 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 40.42 82.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -170.48 128.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.72 116.97 4.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.541 1.15 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.62 -53.84 48.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -65.32 -29.33 70.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.43 -42.21 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.9 t -76.51 -44.06 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.2 t -51.52 -35.69 41.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.88 -43.73 82.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.3 t -71.92 -23.94 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -80.14 -59.9 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 179.66 105.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -96.26 -58.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.544 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 70.9 mt -77.04 -61.0 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.08 127.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.61 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 24' ' ' MET . 0.4 OUTLIER -74.1 -70.58 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.967 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.431 ' CB ' ' O ' ' A' ' 23' ' ' SER . 0.2 OUTLIER 76.22 168.86 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 t -105.1 130.0 53.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.22 -179.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.1 ptp -120.8 69.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -126.77 149.11 67.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.947 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.96 40.71 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 112.44 3.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 173.37 46.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.348 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.93 169.08 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' ALA . 3.5 mt -105.16 77.78 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.3 m80 66.99 -73.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.589 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . 64.55 105.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.9 tp -166.45 -99.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.95 34.85 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.86 -74.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.24 -8.82 34.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.4 -73.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.19 53.68 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.59 78.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 169.19 166.19 27.82 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 53.32 3.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 46' ' ' ILE . 12.7 pt-20 -139.49 -45.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.432 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 2.6 mt -94.57 129.91 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.4 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 52.0 m -94.82 140.58 29.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -114.6 124.18 51.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.575 ' CD1' HG12 ' A' ' 5' ' ' ILE . 16.1 m-90 -96.3 123.12 39.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.014 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -104.62 -176.13 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 110.045 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.442 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -173.28 144.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.47 ' CA ' ' HB1' ' A' ' 58' ' ' ALA . 6.9 m95 -128.75 127.24 41.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.452 ' OE2' ' N ' ' A' ' 1' ' ' MET . 4.6 tp10 -132.4 79.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.148 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.61 -133.28 11.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -106.97 21.2 17.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -135.86 137.62 41.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.451 HD11 ' CZ3' ' A' ' 52' ' ' TRP . 3.0 mm? -50.85 107.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HB1' ' CA ' ' A' ' 52' ' ' TRP . . . -57.47 -32.83 67.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.73 175.15 13.64 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.6 p -160.69 149.57 16.76 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.82 177.96 26.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -148.9 170.12 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.569 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 4.1 pp -157.59 125.88 5.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -92.13 151.9 20.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.02 109.34 18.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.24 -76.97 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.9 -176.54 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -75.21 -23.64 57.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' O ' ' CD1' ' A' ' 104' ' ' TYR . 4.8 mtt180 -116.93 -36.56 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -89.07 154.14 20.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.643 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.34 -169.91 15.73 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.69 148.87 28.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 0.791 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.409 ' CD1' ' N ' ' A' ' 73' ' ' ILE . 3.4 mp -122.44 119.7 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.12 164.26 21.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.553 ' O ' ' CB ' ' A' ' 76' ' ' MET . 0.1 OUTLIER 73.93 165.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.553 ' CB ' ' O ' ' A' ' 75' ' ' SER . 6.1 tmm? 84.82 123.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -150.32 147.87 28.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.4 m -71.51 145.43 49.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.6 m -90.11 -174.06 4.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.69 176.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.33 47.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -147.9 55.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.596 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.7 tt -133.27 157.14 46.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -102.41 131.77 48.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.52 158.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.03 118.11 4.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 2.2 t -75.07 -61.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 92' ' ' LEU . . . -59.58 -32.44 70.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -62.72 -32.76 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.49 -54.26 12.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.7 t -66.11 -49.5 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 44.8 tp -46.58 -44.17 17.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -48.99 79.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.566 ' CD2' HG22 ' A' ' 3' ' ' ILE . 12.5 t60 -67.62 -33.41 74.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 mm -60.65 -51.06 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 92.2 mt -67.01 -33.33 62.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -43.96 74.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -55.18 -49.56 71.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.461 ' HB1' ' CD1' ' A' ' 151' ' ' LEU . . . -66.19 -32.39 73.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -33.43 75.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -68.4 -52.93 27.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -39.44 91.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.03 61.54 1.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 69' ' ' ARG . 4.3 m-85 -82.8 -178.72 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -93.77 -39.71 10.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -163.21 161.02 24.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.4 mt -109.31 126.31 53.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.72 143.77 45.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.597 ' O ' ' CE1' ' A' ' 146' ' ' PHE . 1.1 pp -160.64 145.77 14.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -79.02 127.37 31.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.424 ' CG2' ' HB2' ' A' ' 147' ' ' MET . 1.4 t -162.56 64.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.376 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -43.08 -94.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 m -177.72 36.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.51 144.77 41.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.43 -27.02 22.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.3 m -65.58 -41.11 93.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.982 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -121.82 35.58 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.501 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.3 mt-10 -65.36 -51.4 52.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -74.98 -20.93 16.42 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.561 1.821 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.79 -51.01 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.524 ' HA ' ' CD1' ' A' ' 124' ' ' TYR . 22.2 ptt180 -67.02 -32.73 74.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.8 OUTLIER -71.84 -25.6 62.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.2 tt -78.14 -26.93 48.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.524 ' CD1' ' HA ' ' A' ' 121' ' ' ARG . 15.7 m-30 -74.38 -52.74 11.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.479 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.0 OUTLIER -55.65 -33.46 64.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -14.69 63.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -98.14 -17.27 19.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 134.71 -34.15 2.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 0.5 OUTLIER -35.33 143.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -120.72 153.97 36.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.641 ' CZ ' ' CE ' ' A' ' 147' ' ' MET . 66.6 m-85 -96.05 127.41 42.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.0 p 175.38 155.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 55.67 102.6 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.346 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 61.5 5.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 146' ' ' PHE . 0.9 OUTLIER -63.43 -159.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' ASP . . . 71.31 158.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' ALA . 0.0 OUTLIER -37.69 -49.59 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.456 ' CD2' ' C ' ' A' ' 138' ' ' TYR . 8.0 p90 -79.46 146.48 32.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -113.8 -151.62 10.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -46.94 163.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.56 165.71 0.53 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.48 18.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 143' ' ' ASN . 5.6 t30 -148.4 78.67 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.69 129.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.55 HG22 ' CD1' ' A' ' 131' ' ' TYR . 3.0 m -139.93 154.24 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 109' ' ' LEU . 62.5 t80 -109.13 167.32 10.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.641 ' CE ' ' CZ ' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -134.87 135.38 41.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 4.3 t -139.28 138.08 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -111.45 149.97 30.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -113.56 121.35 43.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.461 ' CD1' ' HB1' ' A' ' 99' ' ' ALA . 46.1 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.471 ' CB ' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.557 0.218 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.98 119.39 31.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.566 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.504 HG23 ' CG ' ' A' ' 94' ' ' HIS . 1.1 mt -90.84 132.93 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.59 178.03 8.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.538 HG13 ' CD1' ' A' ' 49' ' ' TRP . 3.0 mt -88.69 140.81 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -138.78 122.23 17.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -117.76 114.3 23.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 71.78 -69.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -39.88 104.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.96 104.97 1.66 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -56.79 4.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -59.06 -25.61 63.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 t -73.8 -46.38 47.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -73.11 -47.1 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.3 -39.03 56.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.83 -43.38 96.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG13 ' CZ ' ' A' ' 48' ' ' PHE . 69.5 t -69.54 -26.71 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -69.2 -12.87 62.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 54.86 89.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -87.01 -55.85 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mp -53.35 -47.54 69.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 23' ' ' SER . 1.7 t-80 -67.96 139.76 56.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.557 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 96.3 p -92.72 138.63 31.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.959 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.15 100.54 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 m -126.02 -62.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.45 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mt 71.45 -72.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptm -173.44 52.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.3 p -171.35 128.79 0.69 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.05 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 171.16 18.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.74 2.99 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.511 1.795 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 178.96 145.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.65 41.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.0 mm -118.88 -4.1 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -130.86 -63.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.637 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 67.64 107.54 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 tp -47.44 -56.99 5.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.23 70.86 0.26 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mp -42.06 -88.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 43.95 59.22 3.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -159.02 -63.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 mp -98.58 52.13 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -172.53 104.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 177.71 162.15 27.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 53.39 3.32 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 175.31 39.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 64' ' ' LYS . 10.6 mm -118.66 131.6 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.572 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 46.1 m -117.78 139.1 51.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -119.58 128.35 53.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.572 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 16.7 m-90 -103.35 166.54 10.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 107.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.419 ' CA ' ' SG ' ' A' ' 60' ' ' CYS . 22.8 p -142.19 143.14 32.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.15 134.05 55.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.471 ' O ' ' CB ' ' A' ' 1' ' ' MET . 6.1 m95 -124.26 139.01 54.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -153.63 75.88 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.67 -129.68 5.26 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.17 -1.5 15.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -131.35 160.3 35.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -64.02 130.95 46.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.451 ' CB ' ' HG2' ' A' ' 53' ' ' GLU . . . -78.92 -37.52 39.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.409 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 130.4 -156.97 21.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' CA ' ' A' ' 50' ' ' SER . 0.0 OUTLIER 170.19 -161.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.55 -137.0 2.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.97 158.96 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 49' ' ' TRP . 2.1 tt -164.35 114.91 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 4.5 tttt -121.64 142.15 50.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -74.75 141.33 44.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.402 ' CD1' ' HG2' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -115.85 -68.03 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.96 -158.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.3 p -79.58 -47.88 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 105' ' ' GLU . 31.9 ptt180 -127.97 32.62 4.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -147.14 126.41 13.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.78 -167.47 11.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.402 ' HG2' ' CD1' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -148.15 152.4 37.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.784 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.4 mp -117.58 146.18 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -156.74 147.08 21.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.7 OUTLIER 82.85 117.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.983 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.9 ttt -160.32 111.07 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.413 ' NH2' ' HB2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.16 134.49 54.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 83.3 m -56.73 -107.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.63 125.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 40.4 40.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.64 -70.84 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -124.86 137.56 54.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.6 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.59 160.14 40.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' A' ' 85' ' ' LYS . 0.1 OUTLIER -90.73 158.97 16.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.344 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 84' ' ' ARG . 0.4 OUTLIER 82.45 -66.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 127.21 101.71 1.16 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -74.92 -59.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.62 -31.16 24.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -65.67 -34.27 77.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' A' ' 53' ' ' GLU . 0.3 OUTLIER -71.71 -48.01 50.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.1 t -57.2 -49.11 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.508 ' HB3' ' CE2' ' A' ' 127' ' ' PHE . 0.2 OUTLIER -55.48 -50.04 70.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -38.09 79.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.504 ' CG ' HG23 ' A' ' 3' ' ' ILE . 2.9 t60 -73.99 -32.61 63.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -44.2 98.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.424 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 45.0 mt -70.4 -40.72 77.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.86 -44.42 73.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.518 ' HG3' ' CE2' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -57.75 -50.57 72.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.349 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.84 -31.52 72.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.77 -32.85 74.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.59 -53.02 31.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -41.31 77.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.75 69.55 1.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -87.96 154.66 20.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 0.721 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -63.86 -44.48 92.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 149' ' ' LYS . 0.0 OUTLIER -161.45 160.27 29.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 96' ' ' ILE . 9.0 mt -108.18 121.51 45.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.7 p -101.02 168.5 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.568 ' CD2' ' CD1' ' A' ' 124' ' ' TYR . 0.9 OUTLIER -161.12 178.35 9.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -104.63 113.8 27.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.4 131.57 9.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.84 45.12 0.66 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.8 p 50.98 51.13 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.02 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.458 ' HA ' ' CE ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -100.82 136.28 40.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.56 -29.02 35.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.6 t -72.23 -31.63 66.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -124.24 40.98 3.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.1 tt0 -70.76 -51.0 12.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.98 -19.94 17.39 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.515 ' O ' ' CD2' ' A' ' 124' ' ' TYR . . . -60.74 -51.16 70.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 118' ' ' GLU . 3.4 ptm180 -63.05 -33.83 76.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -71.81 -36.82 70.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.8 tp -75.51 -35.48 60.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.568 ' CD1' ' CD2' ' A' ' 109' ' ' LEU . 10.8 m-85 -67.71 -52.0 42.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.471 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.3 OUTLIER -61.17 -30.65 70.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.9 t -70.82 -12.71 61.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -95.29 -14.41 23.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.16 -35.13 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 24.6 m-85 -40.15 139.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.99 148.81 50.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.467 ' CE1' ' HB ' ' A' ' 145' ' ' VAL . 7.6 m-85 -60.39 144.44 50.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.9 -176.06 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -39.21 158.68 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.412 ' HA ' ' CG ' ' A' ' 146' ' ' PHE . 18.1 Cg_endo -75.04 175.57 11.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 136' ' ' ALA . 5.2 m-85 -159.28 -41.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 135' ' ' PHE . . . -50.98 -178.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.37 33.55 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.404 ' O ' ' O ' ' A' ' 139' ' ' GLY . 0.9 OUTLIER -111.75 13.86 21.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . 37.84 -157.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -80.07 159.72 26.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 176.34 136.02 0.19 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.29 21.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -113.5 56.48 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.7 m -167.15 149.1 5.97 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.467 1.104 . . . . 0.0 109.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.467 ' HB ' ' CE1' ' A' ' 131' ' ' TYR . 9.1 m -114.48 165.77 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.445 ' CG ' ' O ' ' A' ' 145' ' ' VAL . 83.5 m-85 -159.66 137.54 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.471 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.9 OUTLIER -140.35 146.07 37.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 12.4 t -121.39 154.66 36.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 31.6 tptt -101.3 142.49 32.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -100.33 116.53 32.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.469 0.176 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 109.19 18.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.615 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.523 HG22 ' CG ' ' A' ' 94' ' ' HIS . 34.3 mm -118.82 137.01 54.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -145.26 174.4 11.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.2 mt -105.84 127.24 61.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -116.37 131.09 57.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.89 100.87 7.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 57.62 174.69 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 64.29 151.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.21 102.43 2.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -55.69 31.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -55.25 -34.03 63.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.472 ' HA ' ' CD1' ' A' ' 57' ' ' LEU . 97.1 t -74.86 -45.31 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.08 -52.84 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -50.69 -50.17 55.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.957 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.36 -47.25 82.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.96 -34.78 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -73.39 -43.97 59.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 61.6 125.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -95.94 -34.2 11.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mp -54.66 -56.5 18.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -114.62 74.4 0.87 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.578 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.9 p -69.48 87.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 175.24 131.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -116.57 127.49 54.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.419 ' O ' ' CG ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -117.04 173.63 6.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -177.57 168.57 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -41.71 159.4 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 114.73 4.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.527 1.804 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.9 13.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -138.62 -154.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.5 m 53.37 172.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -85.08 109.47 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.583 ' O ' ' CD2' ' A' ' 34' ' ' HIS . 25.5 p-80 49.31 93.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.618 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -171.02 128.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tp -119.31 -142.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.17 42.09 1.07 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.05 -30.99 28.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -93.28 56.02 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -131.9 -75.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.69 -36.93 67.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -95.12 55.82 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.29 177.32 31.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.54 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -46.22 -43.35 15.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.0 mt -105.81 154.67 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.472 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 32.5 m -130.85 139.25 50.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CZ ' ' O ' ' A' ' 61' ' ' GLY . 2.2 t80 -111.96 118.05 34.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 63' ' ' LEU . 21.1 m-90 -93.08 138.73 31.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 107.985 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.5 m -139.16 131.94 29.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.491 ' HB1' ' CD1' ' A' ' 3' ' ' ILE . . . -94.1 140.58 29.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.519 ' CA ' ' HB2' ' A' ' 58' ' ' ALA . 21.0 m95 -124.48 123.59 40.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 107.987 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.43 ' CB ' ' HB1' ' A' ' 58' ' ' ALA . 1.1 tp10 -137.04 76.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.07 -127.76 7.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.25 15.45 19.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.83 170.36 16.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -61.72 145.0 53.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.519 ' HB2' ' CA ' ' A' ' 52' ' ' TRP . . . -112.92 -19.32 11.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.434 ' N ' ' HB2' ' A' ' 51' ' ' ALA . . . 172.91 136.09 2.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.2 p -133.65 155.62 49.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.562 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . . . 172.26 -164.55 37.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.2 162.73 34.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 49' ' ' TRP . 1.9 tt -160.92 117.38 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' N ' ' HZ2' ' A' ' 74' ' ' LYS . 3.3 tttt -121.51 142.61 49.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 143.39 56.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mt -119.75 -63.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -137.97 179.47 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 t -52.27 -33.56 42.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -141.95 44.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -139.88 138.89 36.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.572 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.61 161.41 27.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.85 151.97 33.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 110.347 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.2 mp -122.65 143.32 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.435 ' HZ2' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -138.0 46.88 2.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.6 t -171.06 104.81 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.95 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.408 ' HG3' ' CB ' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -136.32 105.45 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -114.27 134.39 54.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.6 m -153.89 152.38 30.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.448 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.6 t 59.93 61.96 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.951 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.04 81.42 8.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.08 -59.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 174.44 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.561 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 84' ' ' ARG . 19.3 tp -132.32 157.4 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.419 ' N ' ' HG ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -91.13 158.99 16.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.0 mptt 67.99 -177.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . -105.71 127.78 9.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 53.0 t -74.77 -61.05 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.408 ' CB ' ' HG3' ' A' ' 76' ' ' MET . . . -69.46 -30.21 68.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -48.35 71.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 7.1 mm100 -56.7 -42.21 78.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.409 ' CG1' HD11 ' A' ' 95' ' ' ILE . 3.4 t -75.34 -53.39 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.522 HD22 ' CG ' ' A' ' 127' ' ' PHE . 31.7 tp -47.55 -46.74 28.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -46.54 72.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.529 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 81.0 t60 -69.4 -41.22 76.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.542 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.409 HD11 ' CG1' ' A' ' 91' ' ' VAL . 13.8 mt -58.97 -47.65 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.49 HD12 ' CE2' ' A' ' 127' ' ' PHE . 53.4 mt -63.93 -34.36 67.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -38.14 72.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -62.64 -47.12 85.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.74 -31.39 68.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.2 -44.61 97.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.167 . . . . 0.0 110.335 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -52.31 65.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.06 -35.92 82.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.6 60.78 2.04 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -69.2 -173.42 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 111.035 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.89 -42.67 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.19 160.67 24.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.5 tp -117.99 121.8 41.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.04 168.6 9.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.609 ' O ' ' CE1' ' A' ' 146' ' ' PHE . 1.6 pp -168.27 174.73 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -96.79 134.7 39.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.567 ' HA ' ' CD1' ' A' ' 117' ' ' PHE . 5.9 t -173.67 135.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.452 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 145' ' ' VAL . . . -124.46 -134.2 4.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.2 p -128.09 31.13 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.48 ' HA ' ' CE ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -89.68 175.63 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.64 -27.37 58.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.2 t -77.14 -30.58 55.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 111' ' ' THR . 13.9 m-85 -96.64 -28.4 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.479 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.2 OUTLIER -38.81 -55.94 2.56 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -75.0 -35.81 2.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.42 75.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.556 ' HA ' ' CD2' ' A' ' 124' ' ' TYR . 5.0 ttp-105 -65.29 -33.47 76.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -27.41 65.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -28.07 62.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.556 ' CD2' ' HA ' ' A' ' 121' ' ' ARG . 23.0 m-30 -75.55 -53.34 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.54 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.9 pp20? -54.33 -27.7 37.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.03 -17.25 47.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.522 ' CG ' HD22 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -99.26 -17.68 17.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.473 ' O ' ' CG ' ' A' ' 149' ' ' LYS . . . 113.34 66.66 0.48 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 9.9 m-85 -133.51 125.71 29.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -97.72 153.85 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -72.63 142.08 48.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.45 -171.05 3.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.331 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -69.68 159.83 82.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.97 7.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.799 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.574 ' HB2' ' CE1' ' A' ' 146' ' ' PHE . 0.2 OUTLIER -108.64 -40.64 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -43.39 161.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -41.8 -43.81 3.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -50.18 125.54 12.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -89.64 170.78 37.15 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -43.5 161.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.435 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.2 OUTLIER 179.65 174.46 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.3 Cg_endo -75.02 1.99 7.14 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -155.53 79.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.23 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 33.6 p -141.45 142.28 33.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 112' ' ' GLY . 14.0 m -146.27 172.18 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.609 ' CE1' ' O ' ' A' ' 109' ' ' LEU . 47.8 t80 -161.78 167.42 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.586 ' O ' ' CE2' ' A' ' 146' ' ' PHE . 3.2 mmt -136.21 146.71 47.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.1 t -139.33 135.64 33.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -108.02 130.75 55.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.77 121.76 36.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mtt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.515 0.198 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 52' ' ' TRP . 42.8 m-70 -60.48 108.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.515 HG23 ' CG ' ' A' ' 94' ' ' HIS . 5.2 mm -119.49 136.94 55.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -143.94 174.57 10.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.574 HG12 ' CD1' ' A' ' 49' ' ' TRP . 6.6 mt -105.73 135.94 41.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -106.5 128.72 54.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -125.03 100.92 6.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mp 56.07 167.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 71.1 170.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.65 109.29 2.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -72.95 -56.33 5.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -63.4 -29.56 70.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.6 t -74.54 -40.69 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -74.41 -47.11 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.19 -35.48 49.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mp -67.18 -36.44 81.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.8 t -72.8 -46.85 51.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -56.02 -36.85 68.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.32 107.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -96.57 -35.09 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.584 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.42 -59.29 5.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -144.65 143.63 30.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.623 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 p -175.51 -57.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 70.27 -67.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.4 t -173.25 148.92 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.424 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.66 45.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -162.48 168.94 21.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 p -123.59 100.24 38.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.15 4.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -167.79 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.39 89.57 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.88 155.28 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.047 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -59.67 -166.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.418 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 2.7 m80 -40.76 97.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.59 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -179.69 124.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -112.7 -32.27 6.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' N ' HD22 ' A' ' 36' ' ' LEU . . . 83.52 74.36 1.22 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 36' ' ' LEU . 2.9 mm? -38.46 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 40.85 65.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 7.9 tttt -174.92 -78.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.27 39.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -158.66 75.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 176.38 -177.24 47.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -42.46 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -46.8 -29.89 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.433 ' CD1' ' O ' ' A' ' 40' ' ' LYS . 3.1 mt -113.97 136.45 50.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.454 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 87.8 m -114.42 136.04 53.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER -117.3 130.3 56.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.003 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CD1' HG12 ' A' ' 5' ' ' ILE . 17.6 m-90 -104.38 141.15 36.85 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.7 m -134.22 125.68 28.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.447 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -91.9 130.73 37.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.568 ' CZ3' HD12 ' A' ' 57' ' ' LEU . 2.1 m95 -125.14 136.31 53.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 107.955 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.445 ' N ' ' HB1' ' A' ' 58' ' ' ALA . 2.1 tp10 -146.16 76.54 1.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.25 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.86 -126.18 7.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.42 8.08 21.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.279 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -127.47 159.98 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.568 HD12 ' CZ3' ' A' ' 52' ' ' TRP . 3.9 mm? -69.47 124.37 23.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.445 ' HB1' ' N ' ' A' ' 53' ' ' GLU . . . -88.38 6.89 35.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.475 ' HA2' ' CG2' ' A' ' 87' ' ' VAL . . . 135.07 159.81 8.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.5 p -145.99 158.59 43.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.598 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . 170.63 -179.11 42.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -155.0 175.75 13.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.566 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 1.5 pp -157.79 114.79 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -90.25 141.73 28.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -62.38 152.89 32.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.408 ' CD1' ' CG ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -134.58 -68.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.461 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -133.23 179.62 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.7 p -60.05 -30.05 68.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -136.3 40.14 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 2.4 t-160 -147.43 140.25 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.542 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -145.81 170.08 27.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.446 ' OE2' ' NZ ' ' A' ' 74' ' ' LYS . 16.1 pt-20 -134.31 176.79 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.46 HG12 ' CB ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -114.54 113.47 43.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.446 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 3.2 mmpt? -104.67 117.58 34.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.35 129.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.5 ttt -172.64 103.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -147.19 159.13 43.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 59.1 m -93.27 148.08 22.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.09 -53.12 4.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.038 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -168.78 34.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.94 33.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -140.48 40.7 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 tt -127.33 156.66 41.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.95 97.09 5.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.94 -54.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.0 90.81 1.64 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.475 ' CG2' ' HA2' ' A' ' 59' ' ' GLY . 1.9 t -67.45 -61.22 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.21 -32.1 73.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.4 ' HG3' ' CD2' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -64.75 -47.78 76.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 3.8 mm-40 -60.46 -48.65 80.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.79 -55.22 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.575 HD21 ' CD1' ' A' ' 127' ' ' PHE . 12.2 tp -47.48 -41.99 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -49.03 71.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.515 ' CG ' HG23 ' A' ' 3' ' ' ILE . 3.0 t-160 -67.46 -40.3 85.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.576 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 mt -57.19 -47.77 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.561 HD13 ' CE1' ' A' ' 127' ' ' PHE . 67.4 mt -67.64 -36.12 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -45.23 80.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.29 -47.08 82.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.443 ' HB3' ' CD1' ' A' ' 104' ' ' TYR . . . -69.81 -33.58 72.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.94 -33.7 74.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.04 -50.85 25.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -37.5 85.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.86 67.23 1.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.443 ' CD1' ' HB3' ' A' ' 99' ' ' ALA . 14.3 m-85 -79.47 -176.79 5.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 0.795 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -114.16 -31.0 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.98 156.59 19.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.65 118.16 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.56 ' OG ' ' CD2' ' A' ' 135' ' ' PHE . 9.5 m -100.82 169.28 9.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.46 ' CB ' HG12 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -164.35 169.89 16.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 110' ' ' GLU . 4.2 pt-20 -100.68 102.91 14.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.458 HG23 ' CD1' ' A' ' 109' ' ' LEU . 68.1 p -102.08 -133.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.467 ' O ' ' CG2' ' A' ' 145' ' ' VAL . . . 135.01 -170.04 23.03 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.464 1.103 . . . . 0.0 110.96 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.1 t -114.91 51.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.976 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.562 ' HB2' ' CD2' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -98.13 172.76 7.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.506 ' O ' ' CD ' ' A' ' 119' ' ' PRO . . . -75.78 -39.51 56.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.8 t -77.85 -16.81 58.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.562 ' CD2' ' HB2' ' A' ' 114' ' ' MET . 6.2 m-85 -99.68 -39.26 8.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.508 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.3 OUTLIER -37.49 -57.39 1.48 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -74.97 -27.84 9.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.548 1.815 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.07 -51.64 67.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.36 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 122' ' ' LYS . 14.0 ptt180 -59.7 -32.48 70.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.451 ' N ' ' HG2' ' A' ' 121' ' ' ARG . 0.3 OUTLIER -67.14 -28.39 68.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 123' ' ' LEU . 0.5 OUTLIER -73.16 -42.66 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.522 ' HB3' ' CG ' ' A' ' 129' ' ' PHE . 7.5 m-85 -63.18 -51.41 66.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.492 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 28.5 mt-10 -50.5 -38.98 47.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.4 t -62.02 -13.22 23.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.039 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.575 ' CD1' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -98.36 -17.65 18.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 127.4 -22.82 5.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 149' ' ' LYS . 12.6 m-85 -36.13 152.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -132.1 162.92 29.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.402 ' O ' ' SG ' ' A' ' 132' ' ' CYS . 0.6 OUTLIER -88.15 145.26 26.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 131' ' ' TYR . 0.9 OUTLIER 177.85 175.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 108.256 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -41.78 151.33 0.32 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.569 ' HG3' ' CE1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -75.0 -166.0 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.472 1.775 . . . . 0.0 110.95 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.56 ' CD2' ' OG ' ' A' ' 108' ' ' SER . 35.2 m-85 -169.5 -39.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -38.47 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -173.31 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -68.87 126.78 30.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -103.91 -149.55 20.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.5 161.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.76 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 179.37 158.63 0.72 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -16.35 20.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -152.65 78.78 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.18 133.18 3.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.496 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 12.5 m -107.06 169.98 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 134' ' ' PRO . 13.5 m-85 -140.12 131.83 27.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 111.073 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.492 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 1.3 ttm -123.54 148.06 46.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.46 156.99 47.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.576 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . 7.9 tmtm? -116.56 137.7 51.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.25 124.39 51.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.611 ' HB2' HE22 ' A' ' 90' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.51 0.195 . . . . 0.0 111.017 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.761 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.1 t60 -164.48 109.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.761 HD12 ' C ' ' A' ' 2' ' ' HIS . 1.6 mp -118.36 136.99 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -127.17 176.52 7.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.7 mt -110.78 110.81 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -109.7 136.44 49.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -121.72 103.33 8.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 43.02 75.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -169.01 143.65 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.45 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.75 114.68 3.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -66.88 -53.99 26.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.5 -32.22 73.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.0 t -73.74 -48.97 37.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 t -67.14 -39.27 82.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -60.03 -44.99 94.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.028 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.749 HD12 ' CG ' ' A' ' 20' ' ' HIS . 1.3 tp -62.96 -44.25 96.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 t -66.32 -23.39 31.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -83.63 -66.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 2.9 pt-20 -177.91 105.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.749 ' CG ' HD12 ' A' ' 16' ' ' LEU . 1.4 t60 -92.49 -57.28 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.576 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.67 HD23 ' CE2' ' A' ' 48' ' ' PHE . 3.6 mp . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -85.75 62.7 7.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.91 -174.45 14.07 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 176.37 10.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 39.09 46.61 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.251 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.637 HG21 ' O ' ' A' ' 41' ' ' LEU . 5.9 mm -130.62 139.2 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.576 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 45.4 m -137.19 131.21 32.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.67 ' CE2' HD23 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.03 124.2 49.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.606 ' CH2' HD22 ' A' ' 63' ' ' LEU . 8.8 m-90 -98.45 130.18 45.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.011 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.424 ' O ' HG23 ' A' ' 3' ' ' ILE . 17.3 m -100.62 157.94 16.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.591 ' HB2' HG22 ' A' ' 91' ' ' VAL . . . -132.51 116.32 16.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.413 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 11.7 m95 -115.6 118.73 33.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 4.6 tt0 -111.34 76.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.74 -131.42 9.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.97 -10.41 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.255 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.88 161.59 19.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.78 HD22 ' C ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -67.53 144.4 55.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.605 ' N ' HD22 ' A' ' 57' ' ' LEU . . . -103.33 -32.33 9.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 163.86 -169.73 38.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.23 -175.11 4.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.39 151.15 11.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.86 153.7 26.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.606 HD22 ' CH2' ' A' ' 49' ' ' TRP . 3.2 tt -155.98 126.68 6.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.87 136.89 51.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.51 144.48 54.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mp -126.27 -67.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.14 -176.53 3.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 t -65.8 -29.44 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -140.21 35.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -133.99 133.39 41.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.598 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.91 155.36 21.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.28 141.03 35.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.722 HG12 HG21 ' A' ' 95' ' ' ILE . 2.9 mp -118.47 144.4 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -150.24 65.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER 165.72 136.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.489 ' CE ' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER 174.97 130.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.459 ' C ' ' HG1' ' A' ' 78' ' ' THR . 7.3 mmt180 -115.74 157.05 24.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.459 ' HG1' ' C ' ' A' ' 77' ' ' ARG . 93.5 m -153.77 159.79 42.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.395 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 78' ' ' THR . 0.6 OUTLIER 80.31 -68.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.026 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 56.69 -155.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.41 -65.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 172.48 72.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.631 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 83' ' ' LEU . 3.5 pp -130.59 150.43 51.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.28 132.87 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 tttt 178.26 -65.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.94 58.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 49.1 t -48.29 -60.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.478 ' HB1' ' HE2' ' A' ' 76' ' ' MET . . . -54.98 -40.97 70.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.752 ' HG3' HD21 ' A' ' 123' ' ' LEU . 5.4 mttt -59.33 -44.55 92.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.611 HE22 ' HB2' ' A' ' 1' ' ' MET . 1.5 mm-40 -60.72 -50.57 72.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.591 HG22 ' HB2' ' A' ' 51' ' ' ALA . 91.2 t -64.69 -54.95 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.038 HD23 ' CD1' ' A' ' 127' ' ' PHE . 13.2 tp -47.03 -33.03 4.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -43.27 87.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.725 ' CG ' HG21 ' A' ' 3' ' ' ILE . 7.5 t60 -69.96 -33.14 71.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.722 HG21 HG12 ' A' ' 73' ' ' ILE . 27.6 mm -60.85 -50.87 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.593 HD12 ' CE2' ' A' ' 127' ' ' PHE . 65.9 mt -67.92 -43.16 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.78 -48.09 83.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -54.65 -44.92 73.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 104' ' ' TYR . . . -70.78 -30.86 67.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -46.12 88.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -50.77 72.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -57.61 -42.36 83.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.84 49.68 0.72 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.509 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 3.3 m-85 -89.48 163.06 15.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -136.13 11.31 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.59 150.65 19.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.55 129.82 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.528 ' O ' HD12 ' A' ' 73' ' ' ILE . 15.8 m -100.94 167.23 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.976 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.631 HD12 ' CD2' ' A' ' 124' ' ' TYR . 2.2 pt? -158.15 162.76 37.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.456 ' HA ' ' HB2' ' A' ' 136' ' ' ALA . 11.9 pt-20 -105.05 109.64 21.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.6 p -126.27 -167.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.413 ' O ' HG22 ' A' ' 145' ' ' VAL . . . 166.05 -94.23 0.11 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.405 ' O ' ' OG ' ' A' ' 113' ' ' SER . 21.7 p -179.19 80.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.574 ' HA ' ' CE ' ' A' ' 114' ' ' MET . 0.2 OUTLIER -136.08 173.9 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.14 -36.2 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.34 -25.85 46.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.487 ' HA ' ' HB3' ' A' ' 120' ' ' ALA . 6.1 m-30 -94.96 -32.46 13.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 114' ' ' MET . 0.8 OUTLIER -37.64 -53.84 2.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -75.03 -37.48 1.99 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.81 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 117' ' ' PHE . . . -53.9 -43.52 69.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -64.72 -32.99 74.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -35.62 65.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.752 HD21 ' HG3' ' A' ' 89' ' ' LYS . 2.3 tm? -63.21 -45.52 91.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.631 ' CD2' HD12 ' A' ' 109' ' ' LEU . 34.3 m-85 -63.6 -50.92 67.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.516 ' CG ' ' HE1' ' A' ' 147' ' ' MET . 1.4 mm-40 -58.68 -21.64 55.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.0 t -85.06 -12.34 53.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 1.038 ' CD1' HD23 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -98.5 -17.07 18.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 115.34 55.11 0.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 9.7 m-85 -114.33 131.63 56.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 0.755 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -116.81 150.46 38.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -58.78 148.77 28.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.15 -168.23 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.73 140.73 97.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.495 ' HA ' ' CD1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -75.03 159.34 41.37 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.488 1.783 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.491 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 8.8 t80 -161.43 -88.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 39.79 -156.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -101.76 39.1 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -154.15 -177.44 6.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -115.82 159.47 13.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.56 170.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -171.84 165.61 4.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -22.8 14.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -124.58 62.23 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.0 m -158.07 128.96 6.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.961 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 112' ' ' GLY . 2.8 m -115.69 147.34 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.495 ' CD1' ' HA ' ' A' ' 134' ' ' PRO . 16.9 m-85 -139.0 153.86 48.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.516 ' HE1' ' CG ' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -151.83 174.21 13.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.3 t -139.1 151.25 46.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -98.72 124.23 43.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -108.0 114.44 28.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.428 HD13 ' O ' ' A' ' 104' ' ' TYR . 2.0 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.504 0.192 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -165.08 108.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.569 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.655 HG21 ' CG ' ' A' ' 94' ' ' HIS . 18.4 mm -119.33 137.13 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -144.97 176.31 9.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.566 HG12 ' CD1' ' A' ' 49' ' ' TRP . 16.3 mt -108.35 133.53 53.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -115.9 126.68 54.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -123.3 105.3 9.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp 65.58 -77.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' ASP . 1.0 OUTLIER -39.69 137.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.13 90.67 0.97 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.147 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -56.0 26.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 0.0 110.32 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -60.98 -31.16 70.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.568 HG21 ' CH2' ' A' ' 52' ' ' TRP . 25.1 t -73.38 -52.93 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -63.15 -42.0 94.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.4 m -57.14 -39.65 75.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.952 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.78 -36.15 78.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.47 -24.02 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -87.91 0.02 56.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.515 ' CG ' ' NH1' ' A' ' 77' ' ' ARG . 1.9 mt-10 68.47 85.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -93.28 -45.28 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.536 HD11 ' O ' ' A' ' 79' ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.74 65.38 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.62 -174.18 26.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.29 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.78 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -41.06 -50.09 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.4 mt -100.82 136.4 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.601 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 86.1 m -97.36 140.08 32.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.389 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.491 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -117.6 130.53 56.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.681 ' CZ3' ' CD2' ' A' ' 63' ' ' LEU . 10.3 m-90 -111.63 133.98 53.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 107.994 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.4 m -136.28 128.26 29.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.642 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -86.51 136.06 33.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.568 ' CH2' HG21 ' A' ' 13' ' ' VAL . 5.5 m95 -120.8 122.19 39.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 107.99 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -131.33 80.69 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.52 -130.02 6.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.0 -12.28 16.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -124.21 160.21 28.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.976 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.96 138.32 57.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.761 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -87.83 -34.15 18.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.595 ' N ' HD22 ' A' ' 57' ' ' LEU . . . -171.24 -179.62 42.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.147 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.544 ' O ' HG11 ' A' ' 91' ' ' VAL . 63.4 m -143.39 174.8 10.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 166.47 154.91 8.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -144.9 172.64 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.681 ' CD2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 pp -161.9 134.24 5.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.69 135.7 49.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -48.41 147.81 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.456 ' CD1' ' HG3' ' A' ' 72' ' ' GLU . 7.0 mt -138.6 -86.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -109.49 -172.83 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.3 p -73.45 -18.58 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -146.45 21.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 3.5 t60 -124.4 141.61 51.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.619 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.78 164.87 26.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 11.0 mt-10 -141.71 142.0 33.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 110.303 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -107.87 123.8 63.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.407 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -121.2 38.12 4.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.3 t -168.36 113.53 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.502 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -159.58 100.4 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.515 ' NH1' ' CG ' ' A' ' 19' ' ' GLU . 3.9 tpt180 -120.35 117.5 27.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 79' ' ' SER . 2.4 m -99.51 177.6 5.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.536 ' O ' HD11 ' A' ' 21' ' ' LEU . 5.9 t 61.55 86.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.01 -72.69 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 p -155.15 36.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.2 m80 71.73 102.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.589 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 tt -141.22 153.63 45.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -118.8 96.95 5.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -179.85 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 145.86 84.39 0.06 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 58' ' ' ALA . 6.6 t -60.57 -60.93 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 0.731 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.502 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -69.05 -31.88 70.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.54 -43.95 88.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -56.93 -45.76 82.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.544 HG11 ' O ' ' A' ' 60' ' ' CYS . 52.2 t -75.07 -43.38 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.627 HD23 ' CE2' ' A' ' 127' ' ' PHE . 21.8 tp -58.29 -55.21 37.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -39.35 75.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.655 ' CG ' HG21 ' A' ' 3' ' ' ILE . 2.1 t60 -68.59 -46.55 69.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.547 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.2 mt -54.48 -48.58 69.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.664 ' CD1' ' CE1' ' A' ' 127' ' ' PHE . 96.3 mt -57.99 -44.12 86.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -40.69 96.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.443 ' HG2' ' CE1' ' A' ' 94' ' ' HIS . 15.5 mm-40 -55.69 -49.11 73.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.854 ' HB1' ' CG ' ' A' ' 104' ' ' TYR . . . -66.72 -35.74 80.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -39.14 86.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -40.9 69.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -39.68 29.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.63 53.16 0.68 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.854 ' CG ' ' HB1' ' A' ' 99' ' ' ALA . 4.9 m-85 -74.48 163.32 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.6 7.65 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.06 154.0 19.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.612 HD12 HD21 ' A' ' 151' ' ' LEU . 0.6 OUTLIER -156.42 122.42 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.768 ' O ' HD12 ' A' ' 73' ' ' ILE . 20.0 m -108.88 156.35 19.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.626 HD22 ' CD2' ' A' ' 124' ' ' TYR . 0.7 OUTLIER -136.91 172.39 13.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -104.56 106.92 17.6 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 145' ' ' VAL . 9.8 t -154.6 124.93 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -126.31 28.14 4.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.408 ' HB2' HG13 ' A' ' 145' ' ' VAL . 1.6 m 59.06 51.57 7.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.535 ' HE3' ' HA ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -93.93 148.02 22.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.948 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.63 -35.37 60.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 20.1 m -70.36 -46.24 64.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -107.19 41.7 1.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.481 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 1.6 mt-10 -69.03 -56.06 9.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -75.01 -18.22 18.88 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.21 68.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.542 ' HA ' ' CD2' ' A' ' 124' ' ' TYR . 6.5 ptt-85 -66.12 -32.12 73.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 2.1 mtpt -65.36 -37.26 86.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.97 -30.65 71.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.626 ' CD2' HD22 ' A' ' 109' ' ' LEU . 12.8 m-30 -73.92 -50.04 21.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.425 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 12.5 mt-10 -51.31 -39.16 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -11.52 42.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.664 ' CE1' ' CD1' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -96.45 -17.31 20.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 120.49 -7.29 11.39 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.577 ' CE1' HD21 ' A' ' 109' ' ' LEU . 9.8 m-85 -53.8 131.21 39.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.93 151.4 41.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -61.2 139.73 58.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.45 -174.2 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.93 151.91 0.49 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' A' ' 146' ' ' PHE . 18.2 Cg_endo -74.97 120.36 6.04 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 33.6 m-85 -114.54 -172.17 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 135' ' ' PHE . . . 67.69 172.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -51.29 -31.85 22.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -66.36 154.03 41.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -151.35 -150.11 5.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -42.21 163.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.51 172.3 0.44 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.11 7.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -157.49 82.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.5 p -140.79 139.12 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.585 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 3.1 m -111.37 175.74 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 145' ' ' VAL . 90.4 m-85 -163.71 150.65 12.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.425 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.2 OUTLIER -154.74 160.56 41.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 t -133.08 157.21 45.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 129' ' ' PHE . 3.5 tmtm? -114.91 141.0 48.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 149' ' ' LYS . 5.4 ttpp -113.33 122.01 46.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.612 HD21 HD12 ' A' ' 107' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mtm . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.524 0.202 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -50.25 108.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.624 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.647 HG23 ' CD2' ' A' ' 94' ' ' HIS . 12.7 mm -118.81 124.83 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 3' ' ' ILE . 17.1 mttt -160.09 177.91 10.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.799 HG23 ' O ' ' A' ' 48' ' ' PHE . 3.3 mt -100.81 140.71 19.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.567 ' OD2' HG11 ' A' ' 13' ' ' VAL . 12.3 t70 -126.94 130.88 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -120.88 101.03 7.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp 40.31 81.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 m -161.67 98.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.46 117.14 3.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -49.4 -40.82 37.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 0.728 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.785 ' O ' HD13 ' A' ' 16' ' ' LEU . 8.1 mm100 -59.22 -34.29 72.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.567 HG11 ' OD2' ' A' ' 6' ' ' ASP . 96.9 t -72.0 -43.24 67.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.9 t -68.38 -49.77 63.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -33.3 32.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.785 HD13 ' O ' ' A' ' 12' ' ' GLN . 4.5 mp -65.49 -39.55 92.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.6 t -74.57 -39.25 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -65.12 -15.25 62.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 47.79 95.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -91.44 -53.22 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.579 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.18 83.3 2.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.67 156.26 24.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -13.23 21.43 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.454 1.765 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.04 50.46 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.487 HD11 ' HD3' ' A' ' 64' ' ' LYS . 19.9 mm -115.47 136.41 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.6 ' CG2' ' CH2' ' A' ' 49' ' ' TRP . 52.8 m -121.74 137.32 54.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -121.48 123.61 42.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.979 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.6 ' CH2' ' CG2' ' A' ' 47' ' ' THR . 10.4 m-90 -98.28 147.49 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 107.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 m -140.65 135.76 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.872 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -106.03 131.87 52.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -115.55 128.31 55.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 107.985 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.664 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 6.4 tt0 -135.54 76.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.84 -132.18 10.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.59 1.181 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -108.98 7.37 25.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.575 ' OE2' ' CE1' ' A' ' 82' ' ' HIS . 4.7 pt-20 -125.82 164.05 21.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.55 HD11 HG22 ' A' ' 13' ' ' VAL . 3.4 mm? -67.79 119.96 13.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.872 ' HB3' ' O ' ' A' ' 51' ' ' ALA . . . -73.57 -42.17 61.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.24 -174.06 46.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.8 p -150.85 161.71 42.16 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.463 ' HA3' ' CG1' ' A' ' 91' ' ' VAL . . . -163.07 176.4 39.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -158.89 147.96 18.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -155.94 115.12 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.487 ' HD3' HD11 ' A' ' 46' ' ' ILE . 8.3 ttpt -104.77 136.03 45.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -59.58 142.33 52.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.42 -58.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -118.88 177.65 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -53.73 -32.89 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.441 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -142.09 44.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.434 ' CE1' ' OG ' ' A' ' 108' ' ' SER . 48.5 t60 -138.26 139.96 39.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.98 150.91 20.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -133.43 135.56 44.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 0.783 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.486 ' CG1' HG21 ' A' ' 95' ' ' ILE . 4.1 mp -93.15 146.93 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.73 43.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.2 t -164.79 120.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -155.66 64.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.44 ' NH1' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -122.16 134.94 54.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 1.105 HG23 HG11 ' A' ' 87' ' ' VAL . 96.5 m -87.45 149.29 24.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.1 t -53.54 -58.36 7.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -154.44 -167.87 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.11 63.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.575 ' CE1' ' OE2' ' A' ' 56' ' ' GLU . 25.0 m-70 -93.33 -173.78 3.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.596 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 83' ' ' LEU . 2.5 pt? -62.06 159.32 14.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 153.46 19.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.31 59.16 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.17 -49.2 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.152 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 1.105 HG11 HG23 ' A' ' 78' ' ' THR . 23.7 t -69.8 -61.05 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.469 ' HB3' ' CD1' ' A' ' 123' ' ' LEU . . . -70.61 -33.54 71.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -45.22 92.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.505 ' HB3' HD11 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -56.87 -50.51 72.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG1' ' HA3' ' A' ' 61' ' ' GLY . 67.7 t -66.37 -41.18 88.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.13 -50.91 71.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -32.77 69.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.647 ' CD2' HG23 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -70.02 -54.77 11.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.592 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.486 HG21 ' CG1' ' A' ' 73' ' ' ILE . 32.5 mt -53.34 -46.52 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.557 HD13 ' CE1' ' A' ' 127' ' ' PHE . 46.2 mt -57.97 -52.85 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -41.41 79.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.549 ' HG3' ' CZ2' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -55.46 -44.96 76.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.746 ' HB3' HD11 ' A' ' 107' ' ' LEU . . . -71.34 -30.86 66.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.76 ' HG2' HD22 ' A' ' 151' ' ' LEU . 1.1 mt-10 -71.49 -47.44 55.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -31.17 71.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.403 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -81.52 -42.69 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.17 57.01 1.52 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.459 ' HB2' ' CD1' ' A' ' 151' ' ' LEU . 7.0 m-30 -79.15 178.48 8.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -97.83 -38.31 9.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -163.03 156.03 19.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.746 HD11 ' HB3' ' A' ' 99' ' ' ALA . 1.2 mt -114.82 123.06 48.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.434 ' OG ' ' CE1' ' A' ' 70' ' ' HIS . 32.1 m -100.96 164.88 11.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.871 HD22 ' CZ ' ' A' ' 124' ' ' TYR . 2.4 pp -159.59 147.63 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -104.67 103.06 12.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 145' ' ' VAL . 6.8 t -112.33 -45.69 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 41.77 28.57 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.427 ' HA ' ' NH1' ' A' ' 121' ' ' ARG . 1.2 p 52.55 34.68 16.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 0.74 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.518 ' HE3' ' HA ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -76.34 154.03 35.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.71 -30.31 71.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -77.07 -24.63 51.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.057 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -120.09 25.81 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.7 mt-10 -65.99 -50.7 50.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -75.03 -29.84 7.75 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' A' ' 124' ' ' TYR . . . -58.35 -47.41 83.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.504 ' HD2' ' CZ ' ' A' ' 131' ' ' TYR . 21.7 ttp-105 -63.0 -38.53 91.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -72.89 -32.75 65.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -77.39 -28.74 52.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.871 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 3.8 m-85 -73.81 -52.57 12.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.423 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.0 OUTLIER -57.03 -29.51 63.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.35 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.1 t -70.09 -14.87 62.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 96' ' ' ILE . 13.9 t80 -99.25 -17.27 18.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 133.99 -34.33 2.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.761 ' CE1' HD23 ' A' ' 109' ' ' LEU . 4.3 m-85 -36.95 141.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -131.2 163.78 26.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.504 ' CZ ' ' HD2' ' A' ' 121' ' ' ARG . 6.0 m-85 -70.32 143.75 51.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.2 m -147.76 -178.38 6.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.452 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 4.0 mt-10 -57.09 168.17 0.95 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.69 30.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.461 ' HB3' ' CE2' ' A' ' 146' ' ' PHE . 32.8 t80 -173.71 -44.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -41.34 -68.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.28 26.28 2.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 50.44 -174.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 40.42 -154.4 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.12 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.1 173.49 9.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -133.22 116.14 14.19 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.08 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -139.48 69.13 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.57 138.97 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.997 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 111' ' ' THR . 29.6 m -116.95 143.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 135' ' ' PHE . 35.9 t80 -98.42 166.91 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.454 ' HB3' HD21 ' A' ' 109' ' ' LEU . 1.9 ttt -147.75 135.2 20.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.3 t -139.05 157.14 46.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.608 ' CB ' ' CZ ' ' A' ' 129' ' ' PHE . 6.2 tmtm? -135.87 152.26 50.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -114.02 115.37 27.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.76 HD22 ' HG2' ' A' ' 100' ' ' GLU . 27.5 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.531 0.205 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.27 109.08 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.579 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.464 ' CG2' ' CD2' ' A' ' 94' ' ' HIS . 2.9 mt -104.1 131.72 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.64 176.15 10.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 48' ' ' PHE . 5.3 mp -74.47 139.35 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -110.79 127.22 55.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.88 114.97 19.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 68.4 -78.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 m -38.56 151.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.424 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.439 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 94.83 84.15 1.64 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -54.95 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -34.6 68.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.542 HG21 ' CH2' ' A' ' 52' ' ' TRP . 42.6 t -74.78 -42.23 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 10' ' ' GLY . 7.8 t -67.22 -52.35 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.47 -35.03 38.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.684 HD22 ' SG ' ' A' ' 60' ' ' CYS . 5.2 tt -64.84 -36.99 86.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.0 -39.92 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -59.14 -69.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.95 69.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -87.1 -54.02 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.585 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.861 HD21 ' HB2' ' A' ' 80' ' ' ALA . 88.8 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -90.14 57.79 3.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.12 153.29 20.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 53.44 3.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -178.52 51.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.467 HD11 ' HD2' ' A' ' 64' ' ' LYS . 16.1 mm -138.44 131.49 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.537 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 16.0 m -107.27 127.87 53.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -109.29 117.61 34.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.776 ' CH2' HD22 ' A' ' 63' ' ' LEU . 10.5 m-90 -89.89 141.42 28.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -129.28 156.35 44.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.57 121.28 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 57' ' ' LEU . 5.5 m95 -112.34 126.59 55.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.787 ' HB2' ' HB2' ' A' ' 58' ' ' ALA . 1.1 tt0 -124.15 77.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.55 -133.42 10.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.29 -15.18 23.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.36 148.37 43.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -54.85 150.08 10.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.787 ' HB2' ' HB2' ' A' ' 53' ' ' GLU . . . -99.9 -26.39 14.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.39 -170.28 43.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.684 ' SG ' HD22 ' A' ' 16' ' ' LEU . 6.3 p -146.96 162.08 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' TRP . . . -163.65 161.65 34.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.435 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . . . -132.76 159.47 39.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.776 HD22 ' CH2' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -160.31 123.36 3.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' HD2' HD11 ' A' ' 46' ' ' ILE . 9.1 tttp -117.54 133.31 56.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -64.39 139.3 58.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.37 -84.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.442 ' OD2' ' N ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -93.36 179.79 5.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.6 p -61.94 -27.53 68.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.55 43.81 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -150.89 147.98 27.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.619 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -156.75 167.51 33.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.495 ' O ' ' CE ' ' A' ' 74' ' ' LYS . 15.0 tt0 -142.18 138.98 31.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.753 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.716 HD11 HD22 ' A' ' 107' ' ' LEU . 3.7 mp -90.63 145.01 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.495 ' CE ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -118.84 -91.71 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -51.96 126.2 17.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.483 ' CG ' ' O ' ' A' ' 76' ' ' MET . 0.7 OUTLIER 173.81 75.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -152.61 161.13 43.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -161.42 142.95 11.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.1 69.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.861 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -134.2 -72.35 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.71 -41.42 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.028 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 66.77 93.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.013 HD13 ' N ' ' A' ' 84' ' ' ARG . 3.1 tm? -76.78 154.17 34.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 1.013 ' N ' HD13 ' A' ' 83' ' ' LEU . 2.5 ptt180 -94.58 96.92 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -174.79 -63.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 156.95 66.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 58' ' ' ALA . 4.0 t -61.6 -61.03 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.24 -31.89 72.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -66.52 -41.07 89.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 4.6 mm-40 -61.66 -54.59 40.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.5 t -57.72 -52.33 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.786 HD22 ' CD2' ' A' ' 127' ' ' PHE . 5.6 tt -50.24 -46.42 54.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -47.3 81.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.464 ' CD2' ' CG2' ' A' ' 3' ' ' ILE . 5.1 t60 -61.83 -41.68 98.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.575 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.6 mm -53.52 -50.12 51.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.22 -49.26 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -37.47 71.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.51 ' HG3' ' CE2' ' A' ' 49' ' ' TRP . 3.1 tm-20 -62.32 -50.86 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.591 ' HB3' HD11 ' A' ' 107' ' ' LEU . . . -66.65 -30.76 71.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.29 -37.11 80.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -74.11 -24.42 59.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -90.04 -28.42 19.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.18 57.87 4.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -83.27 174.0 11.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -89.72 -37.33 14.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -162.88 160.47 25.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 73' ' ' ILE . 6.7 mt -114.36 118.14 33.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 82.9 p -103.19 158.78 16.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.475 ' C ' HD12 ' A' ' 109' ' ' LEU . 4.3 pp -175.61 173.03 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.19 116.97 33.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 111' ' ' THR . 7.8 t -160.59 112.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.411 ' C ' HG22 ' A' ' 145' ' ' VAL . . . -98.91 -122.51 4.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.1 m -143.52 16.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.789 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -52.85 148.98 6.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.45 -34.17 56.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.87 -38.8 57.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -107.38 37.77 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.6 mt-10 -73.21 -52.52 5.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.97 -13.64 21.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.51 69.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 20.1 ptt-85 -71.56 -36.54 70.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 119' ' ' PRO . 0.5 OUTLIER -67.75 -35.3 78.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.334 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 119' ' ' PRO . 13.1 tp -61.62 -45.06 95.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.523 ' HB3' ' CG ' ' A' ' 129' ' ' PHE . 14.3 m-85 -62.23 -44.14 97.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.442 ' CD ' ' HE1' ' A' ' 147' ' ' MET . 1.7 mm-40 -59.84 -33.18 71.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.0 t -82.17 -23.99 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.786 ' CD2' HD22 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -91.85 -16.84 26.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 124' ' ' TYR . . . 106.65 96.4 2.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 1.4 m-85 -151.75 160.26 43.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -106.33 156.81 18.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.451 ' OH ' HG11 ' A' ' 145' ' ' VAL . 3.6 t80 -111.69 118.64 36.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 111.045 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 45.1 m -151.9 179.75 8.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.284 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -54.62 166.82 0.67 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.553 ' HA ' ' CG ' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -75.02 138.43 22.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 136' ' ' ALA . 39.0 t80 -124.62 -44.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -39.08 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 138' ' ' TYR . 10.0 t0 -157.56 -55.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 137' ' ' ASP . 8.0 m-85 -37.22 156.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.93 -151.4 5.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 111.066 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.19 161.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.297 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.42 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.4 OUTLIER 169.41 174.06 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 142' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.2 Cg_endo -75.05 -27.93 9.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -159.94 75.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.4 t -136.76 131.44 33.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.451 HG11 ' OH ' ' A' ' 131' ' ' TYR . 32.7 m -132.4 -177.34 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.553 ' CG ' ' HA ' ' A' ' 134' ' ' PRO . 27.4 t80 -143.84 167.1 23.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.515 ' N ' ' CG ' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -152.33 141.84 21.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.015 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.539 ' C ' ' CD2' ' A' ' 129' ' ' PHE . 1.7 t -137.96 152.32 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -105.96 130.1 53.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.1 111.89 24.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mmt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.503 0.192 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -165.18 107.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.607 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.786 HG21 ' CG ' ' A' ' 94' ' ' HIS . 11.7 mm -120.04 137.5 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -149.37 175.56 11.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 48' ' ' PHE . 32.1 mt -109.34 140.63 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -119.0 121.99 41.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -124.73 101.89 7.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 7' ' ' ASP . 0.6 OUTLIER 37.46 88.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -176.47 -37.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.2 70.43 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 15' ' ' SER . 10.9 ptt180 -48.69 -33.6 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -68.98 -36.12 77.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.504 HG21 ' CH2' ' A' ' 52' ' ' TRP . 8.4 t -75.37 -51.38 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.7 t -64.4 -30.82 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -50.85 -33.45 23.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.982 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.95 -33.77 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.465 HG11 ' CE2' ' A' ' 48' ' ' PHE . 51.4 t -81.66 -31.22 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -77.99 -0.67 28.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 75.6 69.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -92.35 -42.58 9.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.661 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 80' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.415 HD23 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -158.54 28.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.1 -170.55 12.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.84 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.67 -31.65 48.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 46' ' ' ILE . 10.9 mm -98.98 158.79 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.595 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 18.3 m -144.37 125.91 14.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.382 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 5' ' ' ILE . 3.6 m-85 -99.17 121.56 41.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.595 ' CZ3' ' HB ' ' A' ' 47' ' ' THR . 12.0 m-90 -100.3 129.94 46.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 108.015 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.7 p -115.83 163.86 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.571 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -139.93 134.81 32.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.54 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 35.7 m95 -116.79 123.05 46.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 107.973 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -131.18 76.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.53 -127.73 6.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.27 -4.8 15.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -127.2 158.01 38.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.896 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.19 126.68 28.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.479 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -71.18 -40.33 71.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.537 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 169.1 -158.29 30.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 t -157.85 177.03 11.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -159.71 -175.06 30.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 75' ' ' SER . . . -158.82 124.9 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -138.8 119.33 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 7.4 ttpp -105.33 146.68 29.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.64 140.07 58.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -120.68 -68.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -126.36 -174.97 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -70.85 -29.85 66.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 ptt-85 -134.2 32.88 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -142.76 152.89 42.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.601 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -153.85 176.2 31.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.538 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -151.09 151.16 31.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 0.784 . . . . 0.0 110.345 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.73 HD11 HD21 ' A' ' 107' ' ' LEU . 4.1 mp -117.83 122.55 70.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.35 58.05 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.63 ' HB2' ' HB3' ' A' ' 62' ' ' ALA . 0.4 OUTLIER 176.39 131.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.82 92.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.417 ' O ' ' HB ' ' A' ' 78' ' ' THR . 15.8 mtm180 -144.24 139.01 28.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER 179.42 -40.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.385 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.78 100.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.543 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -123.83 12.66 9.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.62 18.83 7.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -115.14 -7.12 12.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.603 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.428 HD13 HG23 ' A' ' 87' ' ' VAL . 7.5 mt -138.8 147.23 42.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' LYS . 2.4 mmt180 -113.08 96.84 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER 40.37 88.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.64 -71.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 29.9 t -48.09 -60.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.14 -43.49 61.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -56.53 -44.08 80.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -59.0 -53.4 58.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.92 -54.09 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.688 HD21 ' CE1' ' A' ' 124' ' ' TYR . 0.2 OUTLIER -47.91 -46.22 31.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -39.48 82.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.786 ' CG ' HG21 ' A' ' 3' ' ' ILE . 25.9 t60 -72.21 -33.39 67.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.607 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.459 HG21 HG12 ' A' ' 73' ' ' ILE . 19.0 mm -57.35 -48.4 82.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.463 HD12 ' CE1' ' A' ' 127' ' ' PHE . 19.9 mt -70.41 -35.25 61.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -48.95 68.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.556 ' OE1' ' CE1' ' A' ' 94' ' ' HIS . 0.3 OUTLIER -55.27 -45.15 76.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.37 -31.11 66.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -49.23 48.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -23.41 60.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.82 -42.91 15.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.59 35.65 1.54 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.568 ' O ' HD22 ' A' ' 151' ' ' LEU . 3.4 m-85 -75.78 158.34 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.731 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.63 11.35 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -163.19 160.47 24.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.73 HD21 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -155.28 152.23 28.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 m -128.47 164.35 22.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.026 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.743 HD23 ' N ' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -166.5 161.5 16.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.26 110.93 23.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.443 ' CG2' ' HB2' ' A' ' 147' ' ' MET . 14.8 t -174.56 117.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . -135.15 37.05 1.98 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.57 1.169 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 1.5 m 92.65 -4.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.0 tpt -43.03 128.4 4.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.08 -50.33 64.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.0 m -52.29 -23.85 6.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -125.27 28.56 6.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.8 tt0 -58.59 -51.25 83.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.97 -23.91 13.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.544 1.813 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.35 -49.23 70.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 7.2 ttp-105 -62.59 -41.11 98.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.47 -29.02 66.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.447 HD13 ' C ' ' A' ' 123' ' ' LEU . 2.4 tm? -76.85 -35.94 57.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.705 ' CE2' HD12 ' A' ' 109' ' ' LEU . 3.4 m-85 -65.98 -52.09 52.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.473 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.2 OUTLIER -60.72 -28.56 68.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.9 t -68.25 -14.06 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.463 ' CE1' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -98.25 -17.06 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.954 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.28 -32.53 2.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 28.3 m-85 -37.99 140.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -131.76 157.48 43.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.463 ' CE1' HG21 ' A' ' 145' ' ' VAL . 3.5 m-85 -67.35 146.94 53.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.61 178.7 9.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.585 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 1.8 mt-10 -46.1 151.01 0.97 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.419 ' HA ' ' HB2' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.95 153.46 42.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.53 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 3.8 t80 -177.34 -87.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.53 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 39.83 -99.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 135' ' ' PHE . 1.5 t70 -122.43 -48.8 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -88.73 -172.75 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -115.78 -164.85 14.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.97 166.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.412 ' CB ' ' HB2' ' A' ' 144' ' ' SER . 1.4 m-20 -174.51 161.54 2.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -33.17 4.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.546 1.814 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -131.6 67.92 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' SER . . . . . 0.412 ' HB2' ' CB ' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -163.13 129.04 3.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.951 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.463 HG21 ' CE1' ' A' ' 131' ' ' TYR . 2.4 m -121.05 -174.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 133' ' ' GLU . 91.9 t80 -139.81 162.31 35.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 1.4 ttt -135.53 138.18 42.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.1 t -134.35 157.27 46.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 5.6 tmtm? -116.84 125.22 51.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.16 105.9 15.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.568 HD22 ' O ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.511 0.196 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -164.75 109.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.707 HG21 ' CG ' ' A' ' 94' ' ' HIS . 25.5 mm -118.99 136.95 54.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -145.73 174.8 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.7 mt -111.19 135.68 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -126.29 127.75 46.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -124.21 117.0 23.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 71.48 -77.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -39.58 150.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.374 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.09 104.14 2.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -56.67 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.7 -32.68 72.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.598 HG21 ' CH2' ' A' ' 52' ' ' TRP . 71.8 t -70.89 -44.94 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.4 t -71.14 -47.08 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -51.58 -35.49 41.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.66 HD11 ' O ' ' A' ' 78' ' ' THR . 0.2 OUTLIER -66.53 -42.92 86.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.412 HG11 ' CZ ' ' A' ' 48' ' ' PHE . 71.9 t -66.75 -40.83 86.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -60.6 -71.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.13 101.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -56.39 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -176.75 80.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.25 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.92 -171.48 35.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -46.87 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.538 1.81 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -55.44 -30.77 61.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.421 HD13 ' HB2' ' A' ' 64' ' ' LYS . 13.4 mm -99.16 128.27 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.524 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 90.4 m -111.85 135.27 52.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.412 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 1.8 m-85 -113.8 119.33 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.588 ' CH2' HD22 ' A' ' 63' ' ' LEU . 12.6 m-90 -97.06 133.75 41.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 108.054 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.3 m -122.04 124.62 44.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.598 ' HA ' HD13 ' A' ' 3' ' ' ILE . . . -99.92 126.49 46.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.598 ' CH2' HG21 ' A' ' 13' ' ' VAL . 6.8 m95 -116.17 119.66 36.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 108.017 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -126.39 76.96 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.02 -132.61 6.9 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.41 -12.04 16.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -120.37 164.61 16.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.917 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -65.45 132.38 48.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.65 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -82.67 -36.57 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.515 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 165.68 176.87 37.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -124.07 -170.38 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.59 144.87 7.13 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -112.92 118.87 36.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.588 HD22 ' CH2' ' A' ' 49' ' ' TRP . 6.5 tt -129.87 117.22 19.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HB2' HD13 ' A' ' 46' ' ' ILE . 10.1 ttpt -125.86 129.17 48.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 129.73 43.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.12 -64.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.28 -173.97 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 68' ' ' THR . 25.7 p -65.84 -38.43 88.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.37 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -130.51 36.87 3.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -145.69 142.87 29.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.586 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.92 179.92 20.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.133 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -162.13 151.28 15.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 62' ' ' ALA . 3.6 mp -122.69 141.28 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.367 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.78 56.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 62' ' ' ALA . 0.2 OUTLIER 176.74 109.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.7 tpt -156.72 87.61 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.5 mmt-85 -138.95 160.15 40.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.66 ' O ' HD11 ' A' ' 16' ' ' LEU . 12.1 p -100.17 -79.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.391 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.7 t 179.3 -37.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.67 -61.51 0.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 80.1 p -172.75 38.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -174.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.6 155.68 21.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.85 150.59 23.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.756 ' HG3' HD12 ' A' ' 123' ' ' LEU . 0.0 OUTLIER 63.64 66.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.473 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . -174.38 -74.53 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.15 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 58' ' ' ALA . 2.9 t -52.89 -60.99 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.63 -46.29 63.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -33.75 33.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 3.6 mm100 -66.44 -44.23 83.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.9 t -71.71 -49.09 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.687 HD22 HD11 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -48.57 -52.68 21.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -44.4 77.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.707 ' CG ' HG21 ' A' ' 3' ' ' ILE . 9.4 t-80 -65.1 -40.91 95.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 mp -59.35 -46.17 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.687 HD11 HD22 ' A' ' 92' ' ' LEU . 13.1 mt -68.08 -38.16 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -41.33 98.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.493 ' OE1' ' CE1' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -56.67 -46.16 81.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.521 ' CB ' HD11 ' A' ' 107' ' ' LEU . . . -70.71 -30.99 67.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.87 -48.62 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -52.51 42.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -42.93 81.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.06 74.53 1.24 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -90.72 -175.08 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -114.23 -31.72 6.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 149' ' ' LYS . 2.8 mpp_? -162.98 153.62 16.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 1.024 HD12 HD11 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -121.06 133.77 55.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.6 t -100.93 168.98 9.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.702 HD22 ' CE2' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -164.68 154.51 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -104.72 103.14 12.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.5 p -99.13 -101.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . 111.68 -32.65 6.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.706 ' HB2' HG22 ' A' ' 145' ' ' VAL . 0.6 OUTLIER 89.99 34.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 109.976 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.51 ' HA ' ' CE ' ' A' ' 114' ' ' MET . 2.1 tpt -56.84 164.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.35 -45.84 68.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -16.96 59.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 117' ' ' PHE . 63.5 t80 -115.27 33.15 5.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.493 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.1 mt-10 -75.09 -51.85 3.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -75.0 -27.66 9.83 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.485 ' HB3' ' CD2' ' A' ' 117' ' ' PHE . . . -55.46 -49.55 72.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.653 ' HE ' HG21 ' A' ' 145' ' ' VAL . 9.0 tmm_? -63.78 -39.28 93.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.39 -25.07 67.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.756 HD12 ' HG3' ' A' ' 85' ' ' LYS . 0.3 OUTLIER -76.28 -34.76 59.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.557 ' CD2' HD11 ' A' ' 92' ' ' LEU . 9.5 m-85 -67.59 -52.28 40.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.485 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.2 pp20? -59.59 -27.62 66.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.3 t -79.83 -10.82 59.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.667 ' CD1' HD13 ' A' ' 92' ' ' LEU . 1.9 t80 -92.02 -17.12 25.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 134.93 -21.38 3.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.702 ' CE2' HD22 ' A' ' 109' ' ' LEU . 20.8 m-85 -55.34 140.03 40.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -127.3 149.45 50.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -58.95 137.88 57.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 2.2 m -161.69 174.53 13.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.297 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.8 132.77 2.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.568 ' HB3' ' CD1' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -75.01 155.87 42.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.41 ' O ' ' CD2' ' A' ' 138' ' ' TYR . 82.1 m-85 -129.01 -45.93 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -46.21 -63.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.47 -20.33 16.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.41 ' CD2' ' O ' ' A' ' 135' ' ' PHE . 0.7 OUTLIER 57.4 158.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 60.73 152.03 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.71 174.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 144' ' ' SER . 5.6 m-20 -159.17 152.96 19.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -14.4 21.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -169.35 88.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' SER . . . . . 0.44 ' HB2' ' CB ' ' A' ' 141' ' ' ASP . 0.6 OUTLIER -173.2 137.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.706 HG22 ' HB2' ' A' ' 113' ' ' SER . 30.2 m -104.93 165.87 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 134' ' ' PRO . 0.8 OUTLIER -166.78 145.11 5.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.485 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -157.08 157.53 34.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.0 t -125.79 157.03 38.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 36.7 tptt -96.46 144.69 26.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -108.26 106.38 16.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 1.024 HD11 HD12 ' A' ' 107' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.222 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 mtt . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.499 0.19 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -148.37 145.2 27.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.605 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.692 HG22 ' CE1' ' A' ' 94' ' ' HIS . 3.9 mt -90.33 128.72 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.48 176.92 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.531 HG13 ' CD1' ' A' ' 49' ' ' TRP . 2.1 mp -81.71 120.86 34.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -124.53 152.85 42.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 8' ' ' LEU . 5.2 t0 -124.04 100.93 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' ASP . 3.8 mp 40.25 88.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -145.86 98.75 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.83 117.02 4.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -47.81 68.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -57.89 -33.04 68.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.827 HG22 HD11 ' A' ' 57' ' ' LEU . 19.9 t -72.13 -41.49 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -72.06 -47.71 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -33.44 28.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.967 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.519 HD13 ' HA2' ' A' ' 59' ' ' GLY . 4.0 tt -68.03 -39.77 83.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 t -70.75 -25.59 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -80.92 -18.25 47.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 41.64 86.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -83.78 -32.26 25.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.614 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.503 HD13 ' HB1' ' A' ' 80' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HA ' HG21 ' A' ' 46' ' ' ILE . 4.1 mp . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -168.08 57.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.84 -175.73 35.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -45.0 -27.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 64' ' ' LYS . 9.0 mm -100.54 123.49 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.428 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 75.6 m -102.86 135.35 44.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -111.09 117.8 34.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.559 ' CZ3' ' HG ' ' A' ' 63' ' ' LEU . 16.8 m-90 -93.38 122.64 36.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.604 ' O ' HG23 ' A' ' 3' ' ' ILE . 4.0 m -93.52 168.63 10.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.712 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -156.83 135.02 11.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -126.99 116.04 20.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 107.981 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.526 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -111.72 80.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.07 -131.5 10.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.49 17.09 24.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -126.86 130.28 49.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.827 HD11 HG22 ' A' ' 13' ' ' VAL . 3.4 mm? -50.86 110.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.72 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -57.75 -45.03 86.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.519 ' HA2' HD13 ' A' ' 16' ' ' LEU . . . 149.92 -127.43 2.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -167.21 175.77 7.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' TRP . . . -151.46 154.26 25.45 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.662 ' HB3' ' CB ' ' A' ' 75' ' ' SER . . . -151.42 133.57 15.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.74 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.559 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -151.1 120.88 7.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -104.8 129.43 53.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.21 142.0 17.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 66' ' ' LEU . 3.7 mt -117.69 -59.25 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -127.64 -168.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.3 p -65.25 -38.13 89.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 -134.75 48.59 2.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.553 ' HE1' ' HB3' ' A' ' 108' ' ' SER . 68.9 t60 -147.15 138.1 23.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.578 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.62 150.5 20.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.2 131.22 48.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.683 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.2 mp -98.21 146.78 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.83 32.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.662 ' CB ' ' HB3' ' A' ' 62' ' ' ALA . 4.1 t -170.76 121.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.675 ' HE3' HD23 ' A' ' 92' ' ' LEU . 1.2 ppp? -178.7 34.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 161.06 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.437 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 70.9 m -80.95 -106.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.25 -74.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.503 ' HB1' HD13 ' A' ' 21' ' ' LEU . . . -174.18 70.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.59 25.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -70.75 -173.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.569 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.701 ' C ' HD22 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -60.97 159.64 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.01 148.32 37.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -169.87 -45.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.56 42.22 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 58' ' ' ALA . 1.4 t -62.99 -61.28 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.522 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -67.2 -33.56 75.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.467 ' HD3' ' CE1' ' A' ' 127' ' ' PHE . 0.7 OUTLIER -63.18 -40.18 96.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -56.87 -44.07 81.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.1 t -73.03 -50.23 33.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.721 ' CD1' HD11 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -52.41 -50.75 61.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -43.53 73.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.692 ' CE1' HG22 ' A' ' 3' ' ' ILE . 3.2 t-160 -61.04 -42.65 98.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.533 HG23 HD22 ' A' ' 63' ' ' LEU . 61.8 mt -64.39 -49.61 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.721 HD11 ' CD1' ' A' ' 92' ' ' LEU . 65.6 mt -58.37 -44.59 88.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -45.13 79.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.495 ' OE1' ' CD ' ' A' ' 102' ' ' ARG . 1.2 tm-20 -56.79 -50.86 71.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.801 ' CB ' HD21 ' A' ' 107' ' ' LEU . . . -65.64 -34.27 77.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.625 ' HG2' HD23 ' A' ' 151' ' ' LEU . 0.7 OUTLIER -66.44 -37.39 85.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -79.93 -32.88 40.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.582 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -70.89 -43.43 68.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.25 55.48 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 102' ' ' ARG . 16.2 m-30 -89.32 177.96 6.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -47.67 7.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.825 ' HA ' HD12 ' A' ' 151' ' ' LEU . 0.1 OUTLIER -163.25 159.55 22.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.873 HD11 HD21 ' A' ' 151' ' ' LEU . 1.0 OUTLIER -109.28 117.21 33.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.553 ' HB3' ' HE1' ' A' ' 70' ' ' HIS . 81.5 p -101.65 168.03 9.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.703 ' C ' HD12 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -174.33 162.84 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.618 ' N ' HD12 ' A' ' 109' ' ' LEU . 13.4 pt-20 -83.83 123.78 30.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.406 ' HB ' HD11 ' A' ' 109' ' ' LEU . 8.9 t -148.54 -176.86 5.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.59 -159.9 23.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.8 m -111.92 -4.12 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 118' ' ' GLU . 4.7 tpt -51.01 146.98 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.68 -33.85 61.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.3 m -70.22 -35.68 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -109.66 27.41 9.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.0 OUTLIER -74.84 -53.58 3.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.98 -17.4 19.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.21 -51.47 66.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.536 ' HA ' ' CD2' ' A' ' 124' ' ' TYR . 17.7 ptt180 -67.18 -35.39 79.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 119' ' ' PRO . 2.5 mtpp -61.62 -46.75 88.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.485 ' O ' HD22 ' A' ' 123' ' ' LEU . 1.8 tm? -53.23 -43.22 67.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.584 ' CZ ' HD21 ' A' ' 109' ' ' LEU . 13.1 m-30 -62.75 -50.16 72.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.407 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 45.5 mt-10 -54.8 -33.27 61.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.2 t -65.34 -14.24 60.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.467 ' CE1' ' HD3' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -98.24 -16.13 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 108.57 -1.86 32.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 0.3 OUTLIER -41.01 159.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 111.047 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -121.4 159.28 26.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.447 ' CE2' ' HE1' ' A' ' 147' ' ' MET . 13.6 m-85 -94.7 150.41 20.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.74 -176.26 5.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 108.272 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 10.6 mt-10 -57.78 151.41 42.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.245 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.13 23.88 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.652 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 0.1 OUTLIER -155.58 -164.12 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 135' ' ' PHE . . . 80.87 -168.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.92 -39.24 25.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -95.76 136.48 36.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -116.42 -162.77 13.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -42.35 158.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 0.727 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.429 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.7 OUTLIER 173.63 173.99 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 142' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.1 Cg_endo -75.05 1.56 7.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -166.71 80.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 53.9 p -153.4 136.73 15.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 5.4 m -148.0 151.82 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.601 ' CE1' ' CE2' ' A' ' 135' ' ' PHE . 15.8 t80 -122.38 146.18 47.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.447 ' HE1' ' CE2' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -120.68 142.22 49.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.466 ' C ' ' CD2' ' A' ' 129' ' ' PHE . 9.1 t -137.27 142.61 41.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 16.5 tptt -100.78 131.36 46.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 149' ' ' LYS . 3.9 ttpt -94.14 112.99 24.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.873 HD21 HD11 ' A' ' 107' ' ' LEU . 1.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.426 ' HG3' ' CB ' ' A' ' 53' ' ' GLU . 28.2 mmt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.502 0.192 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -164.69 108.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.597 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.619 ' CG2' ' CD2' ' A' ' 94' ' ' HIS . 3.9 mm -119.92 122.53 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.12 173.33 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.571 HG13 ' CD1' ' A' ' 49' ' ' TRP . 2.6 mp -87.69 138.63 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.586 ' OD2' HG21 ' A' ' 13' ' ' VAL . 8.6 t70 -107.62 118.86 37.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -125.3 100.86 6.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' HG22 ' A' ' 9' ' ' THR . 0.1 OUTLIER 53.24 176.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 9' ' ' THR . 0.5 OUTLIER 71.94 12.1 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.73 76.56 0.4 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.8 -49.63 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -60.7 -29.62 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.586 HG21 ' OD2' ' A' ' 6' ' ' ASP . 37.0 t -74.11 -42.03 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.16 -48.57 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -34.61 30.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.703 ' O ' HD23 ' A' ' 16' ' ' LEU . 4.4 tt -72.73 -45.04 60.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 13' ' ' VAL . 68.9 t -64.9 -24.14 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -77.68 -61.35 2.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.23 97.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.04 -58.87 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.799 HD21 ' O ' ' A' ' 80' ' ' ALA . 21.3 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.606 HD23 ' HZ ' ' A' ' 48' ' ' PHE . 6.7 mp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -78.47 61.08 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.64 167.02 12.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.16 8.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 5.9 tt0 -107.56 54.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.488 HG21 ' O ' ' A' ' 41' ' ' LEU . 19.4 mm -126.09 136.11 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.591 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 17.9 m -121.78 125.76 47.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.627 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 2.9 m-85 -106.08 117.26 33.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CH2' HD22 ' A' ' 63' ' ' LEU . 20.2 m-90 -90.06 132.27 35.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.053 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.6 m -123.0 163.38 20.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.039 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -130.96 130.86 43.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.461 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 2.3 m95 -119.6 116.74 26.64 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.53 ' CG ' ' HB2' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -142.88 76.2 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.344 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.1 -128.02 2.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.0 -9.32 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -141.17 177.25 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.944 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.49 134.64 57.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 51' ' ' ALA . . . -82.39 -36.57 26.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.564 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 177.08 -175.86 47.84 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.516 ' SG ' HG13 ' A' ' 13' ' ' VAL . 3.5 m -141.47 -174.26 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.601 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . -178.26 164.22 32.79 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.627 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -131.86 127.34 36.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 0.734 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.692 HD22 ' CH2' ' A' ' 49' ' ' TRP . 3.0 tt -137.99 119.74 15.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -120.1 137.24 54.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.24 148.57 44.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.72 -81.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.83 -170.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.3 t -60.11 -44.07 95.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -135.8 40.88 2.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -139.26 131.11 27.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.612 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.92 170.26 23.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -149.33 154.31 38.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.9 mt -115.96 138.73 45.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.48 46.86 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.72 102.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.565 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -139.83 83.51 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -123.44 135.8 54.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.506 HG23 ' HB ' ' A' ' 87' ' ' VAL . 4.4 m -68.37 -83.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.25 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.799 ' O ' HD21 ' A' ' 21' ' ' LEU . . . -117.42 -69.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER 163.49 -29.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 82' ' ' HIS . 7.6 p80 -135.58 111.52 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 109.597 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.872 HD22 HG23 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -138.91 159.71 41.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.639 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -90.76 155.25 18.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 84' ' ' ARG . 0.2 OUTLIER 81.75 -67.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 131.44 110.0 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.434 1.084 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.872 HG23 HD22 ' A' ' 83' ' ' LEU . 68.8 t -73.87 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.565 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -52.21 -42.65 63.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.872 ' HG3' HD11 ' A' ' 123' ' ' LEU . 5.4 mtpt -55.23 -44.25 75.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 2.1 mm-40 -62.05 -54.03 47.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.0 t -57.63 -53.83 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.64 HD12 HD11 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -47.82 -49.89 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -42.5 91.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.619 ' CD2' ' CG2' ' A' ' 3' ' ' ILE . 5.2 t-160 -56.91 -49.75 74.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.627 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 mp -56.74 -50.26 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.64 HD11 HD12 ' A' ' 92' ' ' LEU . 63.8 mt -59.78 -51.98 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -41.87 71.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.429 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 5.3 tp10 -62.63 -51.03 68.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.09 -31.13 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.78 -45.93 90.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -51.83 67.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -34.82 75.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.98 57.1 3.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.601 ' HB2' HD13 ' A' ' 151' ' ' LEU . 14.9 m-85 -70.76 -173.72 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -108.08 -35.97 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -162.94 161.08 25.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.601 HD12 HD11 ' A' ' 151' ' ' LEU . 3.3 mt -123.44 118.22 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 m -106.98 168.86 8.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.593 HD11 ' CE2' ' A' ' 124' ' ' TYR . 0.3 OUTLIER -173.51 -175.7 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.439 ' HA ' ' CB ' ' A' ' 136' ' ' ALA . 12.6 pt-20 -95.72 128.08 42.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 145' ' ' VAL . 3.0 m -146.42 143.83 29.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.837 ' O ' HG22 ' A' ' 145' ' ' VAL . . . -143.91 -107.47 0.58 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.7 p 179.33 50.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 110.055 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.459 ' HE3' ' HA ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -95.0 142.57 27.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.8 -31.61 39.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.2 p -64.57 -44.57 90.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -119.39 45.78 2.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.5 tt0 -71.23 -52.9 8.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.99 -12.63 21.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.09 -51.85 60.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 30.1 ptt85 -67.33 -32.31 73.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER -66.49 -37.82 85.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.872 HD11 ' HG3' ' A' ' 89' ' ' LYS . 1.0 OUTLIER -64.0 -34.84 78.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.593 ' CE2' HD11 ' A' ' 109' ' ' LEU . 14.4 m-30 -69.35 -50.2 48.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.47 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 29.1 mt-10 -49.74 -43.3 47.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.3 t -61.38 -16.83 50.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.63 ' CE1' ' CD1' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -90.91 -17.14 26.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 121.74 -16.4 8.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.565 1.165 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 5.7 m-85 -44.64 139.82 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -114.94 162.72 16.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.429 ' CD2' ' SD ' ' A' ' 147' ' ' MET . 22.4 m-85 -89.82 135.75 33.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 71.6 m -148.73 160.3 43.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.278 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -41.88 163.38 0.12 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.43 14.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.453 1.765 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 136' ' ' ALA . 76.8 t80 -132.15 -43.09 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -36.85 -62.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -172.5 -65.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -47.68 121.23 3.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -84.78 -163.72 37.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -49.49 157.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 167.69 167.23 0.13 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 0.45 8.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -156.59 78.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' SER . . . . . 0.47 ' C ' HG13 ' A' ' 145' ' ' VAL . 3.7 t -164.69 129.19 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 112' ' ' GLY . 15.9 m -154.43 144.75 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.527 ' CE2' ' HB ' ' A' ' 148' ' ' THR . 17.3 t80 -117.32 156.85 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.47 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -131.56 143.81 50.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.527 ' HB ' ' CE2' ' A' ' 146' ' ' PHE . 2.7 t -139.08 128.05 23.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.431 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 2.6 tmtt? -90.49 145.37 24.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.51 109.07 18.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.601 HD11 HD12 ' A' ' 107' ' ' LEU . 1.2 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.544 0.212 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.92 109.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.603 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.581 HG22 ' CE1' ' A' ' 94' ' ' HIS . 3.2 mt -118.97 132.98 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -135.98 175.21 9.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.63 111.28 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.37 149.93 50.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -119.63 100.38 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' HA ' ' CG1' ' A' ' 13' ' ' VAL . 0.6 OUTLIER 37.72 86.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.438 ' HB ' ' CG2' ' A' ' 13' ' ' VAL . 23.5 m -62.7 -81.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.543 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -132.84 -125.68 2.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.07 -29.86 23.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -63.42 -49.52 73.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 8' ' ' LEU . 79.4 t -73.27 -38.76 54.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 10' ' ' GLY . 3.3 t -61.66 -45.69 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.86 -46.99 74.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -44.77 77.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.69 -46.84 95.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -63.73 -70.12 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 176.68 137.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -92.82 -48.25 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.637 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.893 ' HG ' ' HB2' ' A' ' 80' ' ' ALA . 1.1 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.571 ' HG ' ' CZ ' ' A' ' 48' ' ' PHE . 2.6 mm? . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 38.96 81.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.69 146.12 13.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -9.42 20.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -136.89 51.84 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.567 HD12 HD12 ' A' ' 41' ' ' LEU . 13.6 mm -106.8 125.73 62.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.543 ' CG2' ' CH2' ' A' ' 49' ' ' TRP . 52.6 m -99.43 143.01 30.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 110.43 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.832 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 3.0 m-85 -127.2 123.15 35.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.543 ' CH2' ' CG2' ' A' ' 47' ' ' THR . 10.4 m-90 -97.5 119.67 36.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 108.014 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.507 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 33.0 m -101.31 129.03 47.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.16 123.48 43.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.507 ' CZ2' ' HB3' ' A' ' 50' ' ' SER . 1.1 m95 -125.34 114.91 19.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 107.989 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -114.92 78.53 1.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.71 -128.74 6.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.058 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.31 -13.21 16.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -119.35 160.58 22.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.964 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -67.35 139.61 57.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.536 ' HB1' HG22 ' A' ' 87' ' ' VAL . . . -94.92 -33.77 12.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.512 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 176.25 -154.41 16.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.5 p -160.06 169.1 24.09 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TRP . . . -169.71 117.04 0.69 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.14 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.832 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . . . -114.53 153.82 29.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.525 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 3.2 pp -139.99 124.73 18.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' HG3' HD11 ' A' ' 46' ' ' ILE . 1.4 ttpt -92.91 125.6 37.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.4 156.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.495 HD13 ' ND1' ' A' ' 70' ' ' HIS . 5.5 mt -139.91 -75.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.35 -175.16 3.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -57.99 -42.3 84.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.22 38.57 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.495 ' ND1' HD13 ' A' ' 66' ' ' LEU . 4.1 t-80 -136.85 132.49 34.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.592 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.39 154.86 22.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 111.047 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.418 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 3.9 tt0 -133.88 134.03 42.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 110.287 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.4 mp -101.41 137.29 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.18 59.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.47 120.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.43 93.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.36 100.08 6.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 79' ' ' SER . 82.5 m -48.06 167.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.539 ' HB2' HG21 ' A' ' 87' ' ' VAL . 4.2 t -103.22 130.27 50.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.893 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . . . -82.92 -165.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER 87.9 -20.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 70.36 81.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.635 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 83' ' ' LEU . 3.9 pp -124.89 146.57 49.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -100.52 97.02 7.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -149.07 -59.91 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 118.66 61.65 0.28 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.539 HG21 ' HB2' ' A' ' 79' ' ' SER . 21.6 t -62.07 -60.47 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.56 96.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.83 ' HG3' HD11 ' A' ' 123' ' ' LEU . 13.2 mttt -56.31 -44.57 80.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 4.9 mm100 -57.96 -50.99 71.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.74 -51.95 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.523 HD21 ' CZ ' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -48.19 -52.46 20.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -49.07 75.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.581 ' CE1' HG22 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -60.55 -45.53 93.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.641 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 96' ' ' ILE . 1.0 OUTLIER -53.49 -51.46 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.737 HD12 ' CE2' ' A' ' 127' ' ' PHE . 79.0 mt -63.22 -45.39 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -42.4 74.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.498 ' CD ' ' CZ2' ' A' ' 49' ' ' TRP . 4.3 mm-40 -56.84 -49.23 76.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.255 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.411 ' HA ' ' CE2' ' A' ' 104' ' ' TYR . . . -66.82 -33.78 76.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -48.39 79.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -52.4 -52.62 52.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.568 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -65.82 -41.36 91.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.65 56.62 2.33 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 102' ' ' ARG . 22.3 m-85 -76.9 -168.91 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -115.73 -34.62 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -163.08 160.94 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.75 HD23 HD21 ' A' ' 151' ' ' LEU . 0.4 OUTLIER -144.28 131.36 20.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -103.3 165.47 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.966 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.479 HD21 ' CE2' ' A' ' 129' ' ' PHE . 2.2 pp -169.63 163.7 10.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -104.92 104.09 13.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 112' ' ' GLY . 3.3 t -121.35 -54.64 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.494 ' N ' HG23 ' A' ' 111' ' ' THR . . . 63.01 -150.93 48.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 83.2 p -139.6 51.59 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -75.79 150.35 37.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.07 -34.1 55.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.5 t -77.05 -41.78 41.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -108.01 43.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.2 mt-10 -73.21 -53.31 4.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -75.0 -21.81 15.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.95 -51.08 71.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 29.9 ptt85 -65.08 -32.22 73.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -72.57 -42.67 64.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.83 HD11 ' HG3' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -56.41 -32.06 64.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.523 ' CZ ' HD21 ' A' ' 92' ' ' LEU . 3.7 m-85 -71.63 -50.17 33.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.477 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 34.8 mt-10 -50.15 -41.8 49.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.341 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.7 t -61.79 -13.62 25.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.737 ' CE2' HD12 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -96.65 -17.35 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 131.49 -27.41 3.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 4.4 m-85 -42.5 139.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -126.6 166.45 17.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.14 133.39 34.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 m -136.87 179.06 6.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 108.288 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.467 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -50.58 143.45 14.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.463 ' CG ' ' HG2' ' A' ' 140' ' ' GLU . 18.2 Cg_endo -75.0 124.72 8.84 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.543 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 16.8 t80 -137.65 -87.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.543 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 40.21 -151.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -60.8 3.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -107.03 143.99 34.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 140' ' ' GLU . . . -59.13 -149.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.463 ' HG2' ' CG ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -48.78 177.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.771 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.414 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.4 OUTLIER -173.8 173.41 1.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 142' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.3 Cg_endo -74.97 -32.43 5.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -144.94 74.32 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.4 m -165.85 143.94 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.464 HG22 ' C ' ' A' ' 112' ' ' GLY . 5.0 m -136.63 -177.91 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 133' ' ' GLU . 70.4 t80 -137.61 156.39 48.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.477 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -138.21 148.61 44.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.9 t -139.11 145.84 39.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.443 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 2.5 tmtm? -110.1 133.81 52.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -107.34 109.8 21.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.75 HD21 HD23 ' A' ' 107' ' ' LEU . 2.4 mm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.521 0.2 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -165.49 107.9 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.603 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.955 HG21 ' CG ' ' A' ' 94' ' ' HIS . 37.5 mm -120.29 137.63 53.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -141.34 174.57 10.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.554 HG12 ' CD1' ' A' ' 49' ' ' TRP . 47.5 mt -114.47 119.25 60.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -127.37 130.94 50.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.93 100.99 6.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 46.11 88.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -174.41 121.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.64 115.12 2.0 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.42 -29.26 15.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.754 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -71.7 -45.27 62.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.4 t -71.04 -36.07 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -71.34 -42.18 73.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 m -54.67 -35.04 63.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.823 HD23 HD21 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -63.77 -43.35 96.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.99 -44.95 92.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.515 ' O ' ' C ' ' A' ' 19' ' ' GLU . 5.0 m-80 -59.12 -22.44 60.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.515 ' C ' ' O ' ' A' ' 18' ' ' ASN . 1.3 pt-20 27.62 87.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -34.95 75.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.619 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.917 HD13 HD12 ' A' ' 46' ' ' ILE . 4.2 mm? . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -79.42 59.59 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.37 165.22 26.78 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.1 18.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.564 1.823 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -95.78 48.58 1.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.917 HD12 HD13 ' A' ' 41' ' ' LEU . 10.1 mm -133.31 129.96 57.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.487 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 46.5 m -116.08 141.09 48.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.46 ' O ' HG23 ' A' ' 5' ' ' ILE . 2.8 m-85 -123.84 149.55 45.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.573 ' CH2' ' HG ' ' A' ' 63' ' ' LEU . 12.1 m-90 -127.96 123.77 35.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.0 m -110.01 137.87 47.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.053 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.59 ' HB2' ' CD1' ' A' ' 3' ' ' ILE . . . -110.87 136.69 49.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.357 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.486 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 17.1 m95 -117.26 122.25 43.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 107.999 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 7.1 tp10 -131.66 76.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.84 -132.3 6.81 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.95 -4.82 21.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -133.56 154.67 50.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.867 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -53.8 133.33 42.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.424 ' HB2' ' HB3' ' A' ' 53' ' ' GLU . . . -80.49 -36.93 32.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.526 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 171.37 -150.37 13.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 49' ' ' TRP . 25.4 p 178.14 163.19 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -143.92 -174.0 15.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.632 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -158.36 152.09 23.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.573 ' HG ' ' CH2' ' A' ' 49' ' ' TRP . 2.8 pp -155.91 134.27 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -109.6 135.37 50.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.67 152.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 66' ' ' LEU . 4.7 mt -133.63 -87.05 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.443 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -119.42 179.73 4.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.3 p -55.23 -36.5 66.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 105' ' ' GLU . 0.2 OUTLIER -134.08 32.39 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.443 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 4.4 t-160 -132.34 134.31 45.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.21 171.02 24.77 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -153.97 154.38 33.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 0.813 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.632 HG23 ' O ' ' A' ' 62' ' ' ALA . 2.1 mp -122.29 138.7 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.401 ' N ' ' HE3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -138.71 37.76 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.627 ' HB2' ' HB3' ' A' ' 62' ' ' ALA . 1.2 m -159.46 124.37 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.912 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 3.2 ttt -178.01 112.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -148.39 160.57 42.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.4 m -114.96 145.18 42.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.52 -61.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -132.47 158.71 41.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.49 -24.43 65.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.37 73.89 0.93 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.571 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.1 tp -124.54 157.92 34.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -91.9 154.02 19.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.64 143.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -78.15 91.52 1.13 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.2 t -50.98 -60.93 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.912 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -53.1 -32.21 46.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.451 ' HG2' ' CE2' ' A' ' 127' ' ' PHE . 1.0 OUTLIER -64.02 -44.43 92.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -58.27 -44.96 88.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 79.0 t -73.29 -49.99 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.848 HD23 ' CD2' ' A' ' 127' ' ' PHE . 14.5 tp -48.02 -46.89 33.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -48.56 72.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.955 ' CG ' HG21 ' A' ' 3' ' ' ILE . 39.1 t60 -63.15 -44.06 96.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.575 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.529 HG21 HG12 ' A' ' 73' ' ' ILE . 53.5 mt -59.22 -52.27 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.556 HD12 ' CE1' ' A' ' 127' ' ' PHE . 73.4 mt -57.62 -42.22 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -43.77 97.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -55.04 -47.27 75.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.612 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . . . -68.82 -31.69 70.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -23.29 65.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -77.63 -43.46 31.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -80.12 -33.79 38.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.63 57.89 2.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.612 ' CD2' ' HA ' ' A' ' 99' ' ' ALA . 23.8 m-85 -64.58 -172.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -106.81 -39.86 5.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.15 161.1 24.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 149' ' ' LYS . 0.6 OUTLIER -117.48 122.27 43.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 92.7 p -105.88 168.21 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.907 HD13 ' CE1' ' A' ' 124' ' ' TYR . 1.0 OUTLIER -161.1 166.22 28.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -103.11 102.9 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.56 HG22 HG23 ' A' ' 145' ' ' VAL . 1.2 m -137.28 128.36 27.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.2 44.81 0.97 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.547 ' OG ' HG13 ' A' ' 145' ' ' VAL . 1.4 m 53.56 25.05 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.974 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.509 ' HE3' ' HA ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -62.12 129.54 41.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.97 -28.52 38.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.9 p -74.34 -29.34 61.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.47 ' HD2' ' HB2' ' A' ' 120' ' ' ALA . 10.8 m-85 -123.37 33.06 5.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.0 OUTLIER -56.14 -54.31 53.98 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.98 -21.45 15.89 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.47 ' HB2' ' HD2' ' A' ' 117' ' ' PHE . . . -50.77 -51.48 49.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 5.4 ppt_? -64.4 -31.04 72.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.4 OUTLIER -74.06 -33.87 63.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.516 HD13 ' C ' ' A' ' 123' ' ' LEU . 3.3 tm? -73.14 -41.88 63.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.907 ' CE1' HD13 ' A' ' 109' ' ' LEU . 11.6 m-85 -61.54 -53.3 58.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.488 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.6 OUTLIER -61.57 -27.74 68.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.8 t -69.73 -11.53 60.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.848 ' CD2' HD23 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -98.33 -17.31 18.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.984 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 138.18 -30.67 2.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.614 ' CE2' HD23 ' A' ' 109' ' ' LEU . 9.5 m-85 -37.24 135.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -124.07 145.52 49.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -60.49 140.59 57.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -168.54 -173.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.87 141.97 1.19 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.98 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -95.31 -25.85 16.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -42.29 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -137.15 28.8 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 52.21 173.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.27 149.22 6.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -98.28 170.76 8.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -167.53 145.62 3.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.55 21.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -128.45 66.96 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.4 m -173.56 147.92 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.044 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.56 HG23 HG22 ' A' ' 111' ' ' THR . 28.2 m -127.48 137.34 58.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.523 ' CD1' ' HB3' ' A' ' 134' ' ' PRO . 0.3 OUTLIER -133.38 148.72 51.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.95 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.488 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -158.4 165.31 34.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 10.8 t -139.34 156.93 46.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -100.62 138.92 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.58 111.1 20.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.487 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 13.3 mtt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.51 0.195 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 1' ' ' MET . 42.0 m-70 -165.02 108.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.816 HD13 ' HA ' ' A' ' 51' ' ' ALA . 22.6 mm -118.96 137.08 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 3' ' ' ILE . 9.3 mtpt -158.99 176.43 12.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.1 mt -87.18 141.73 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.31 127.32 40.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -124.17 153.63 41.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.502 HD23 HG21 ' A' ' 14' ' ' VAL . 2.7 mt -59.97 82.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 9' ' ' THR . 1.3 t -160.92 25.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.23 97.54 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -52.18 -26.62 11.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.765 . . . . 0.0 110.27 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -69.58 -44.04 71.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.51 HG21 ' CH2' ' A' ' 52' ' ' TRP . 53.9 t -71.95 -39.82 67.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.502 HG21 HD23 ' A' ' 8' ' ' LEU . 53.8 t -71.56 -46.45 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 22.8 t -50.66 -53.13 33.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.55 HD13 HD21 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -53.29 -46.09 69.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 13' ' ' VAL . 63.7 t -63.26 -43.34 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -58.09 -70.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -177.27 108.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -94.51 -45.26 7.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.622 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.674 HD13 HG21 ' A' ' 46' ' ' ILE . 4.0 mm? . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.7 ttt180 -95.09 61.63 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.42 179.66 34.86 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.451 1.094 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -40.18 -34.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.674 HG21 HD13 ' A' ' 41' ' ' LEU . 4.2 mt -113.04 158.55 13.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.608 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 4.4 m -131.71 142.89 49.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.432 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -116.24 120.54 39.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.608 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 19.7 m-90 -98.93 138.64 35.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 107.96 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.471 ' HA ' ' CB ' ' A' ' 60' ' ' CYS . 11.8 p -123.04 170.21 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.861 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -135.94 120.78 18.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.51 ' CH2' HG21 ' A' ' 13' ' ' VAL . 6.9 m95 -107.59 120.38 42.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -125.15 76.76 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.15 -131.0 6.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.49 -12.09 15.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -118.73 162.38 18.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.919 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -65.28 129.67 40.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.861 ' HB3' ' O ' ' A' ' 51' ' ' ALA . . . -80.9 -39.5 26.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.64 -166.58 36.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 17.1 p -177.98 170.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . -152.35 -176.45 25.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.725 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -112.18 154.19 25.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 0.741 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.908 HD12 HG23 ' A' ' 95' ' ' ILE . 4.7 tt -156.93 115.25 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -122.51 140.32 52.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.97 151.18 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 -61.0 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.08 -163.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -76.13 -36.3 58.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.05 41.8 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -142.3 138.19 31.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.609 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -139.19 164.42 25.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -146.68 143.73 28.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.76 . . . . 0.0 110.281 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.938 HG12 HD13 ' A' ' 95' ' ' ILE . 4.7 mp -120.94 131.55 72.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -132.96 64.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.96 97.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.497 ' HE3' ' O ' ' A' ' 88' ' ' ALA . 1.9 tpt -137.22 88.48 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.05 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -126.9 137.6 53.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.483 ' HB ' ' CG ' ' A' ' 82' ' ' HIS . 20.2 m -86.44 -71.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.47 ' HB2' HD11 ' A' ' 16' ' ' LEU . 4.7 t 166.75 63.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 62.11 116.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.524 ' O ' ' CG ' ' A' ' 82' ' ' HIS . 0.2 OUTLIER 75.27 -55.5 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.965 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 81' ' ' SER . 1.0 OUTLIER 88.73 115.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 pp -72.99 158.99 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.45 104.29 16.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.08 -57.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.37 52.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.613 HG22 ' HB1' ' A' ' 58' ' ' ALA . 2.7 t -74.56 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.497 ' O ' ' HE3' ' A' ' 76' ' ' MET . . . -55.79 -34.43 65.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -46.66 87.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.366 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.501 ' HB3' HD11 ' A' ' 3' ' ' ILE . 7.9 mm100 -57.09 -48.06 79.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.02 -49.0 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.862 HD23 ' CD2' ' A' ' 127' ' ' PHE . 6.0 tp -56.72 -51.25 69.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -37.08 66.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.612 ' CE1' ' CG2' ' A' ' 3' ' ' ILE . 12.0 t-160 -66.63 -55.19 16.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.938 HD13 HG12 ' A' ' 73' ' ' ILE . 26.4 mt -53.88 -43.8 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.683 ' CD1' ' CE1' ' A' ' 127' ' ' PHE . 67.4 mt -60.98 -56.04 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -37.52 67.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -48.94 79.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.45 -32.71 73.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.476 ' CD ' HD11 ' A' ' 151' ' ' LEU . 0.8 OUTLIER -63.34 -38.99 93.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -16.42 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.74 -42.98 10.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.243 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.94 47.01 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.478 ' O ' HD23 ' A' ' 151' ' ' LEU . 3.8 m-85 -93.99 164.76 12.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.65 13.66 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -155.62 144.52 20.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.472 HD21 HG22 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -143.6 118.86 10.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.1 t -101.03 169.16 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.851 HD13 ' CE2' ' A' ' 124' ' ' TYR . 1.2 pp -148.97 163.21 38.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.414 ' N ' HD12 ' A' ' 109' ' ' LEU . 1.4 tt0 -103.82 104.67 14.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.61 ' CG2' HD11 ' A' ' 109' ' ' LEU . 2.2 t -144.44 140.51 29.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.437 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -147.54 36.91 1.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 p 52.97 38.69 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.062 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.581 ' HE3' ' HA ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -90.84 136.99 32.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.83 -32.31 43.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.1 t -66.3 -34.23 77.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -122.49 37.5 4.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 2.3 mt-10 -65.79 -50.98 51.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.97 -22.96 14.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.99 -49.77 72.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 118' ' ' GLU . 23.1 ptt85 -67.15 -33.93 76.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -71.82 -30.29 65.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.66 HD13 ' C ' ' A' ' 123' ' ' LEU . 1.5 tm? -77.19 -38.63 51.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.851 ' CE2' HD13 ' A' ' 109' ' ' LEU . 9.2 m-85 -64.89 -51.49 61.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.475 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.3 pp20? -59.44 -33.03 70.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.8 t -68.7 -11.79 60.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.862 ' CD2' HD23 ' A' ' 92' ' ' LEU . 2.5 t80 -98.37 -17.07 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 136.54 -35.17 2.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.695 ' CD1' HD23 ' A' ' 109' ' ' LEU . 22.0 m-85 -37.95 137.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -127.81 151.93 48.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -60.32 148.13 38.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.2 m -169.72 179.66 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.336 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -49.81 149.41 4.6 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.97 162.45 37.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -145.23 -45.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -44.98 159.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.4 -49.29 5.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -52.86 139.74 26.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -107.48 179.14 22.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -43.21 166.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.11 166.93 0.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.41 9.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -150.3 75.98 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.61 132.9 3.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.59 ' C ' ' CD1' ' A' ' 146' ' ' PHE . 4.0 m -135.54 149.23 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 145' ' ' VAL . 6.1 m-85 -145.27 143.63 30.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.493 ' CG ' HD21 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -141.66 154.01 45.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.2 t -127.21 155.94 42.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.373 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 129' ' ' PHE . 9.7 tmtt? -111.38 144.47 40.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -110.96 107.77 17.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 104' ' ' TYR . 8.0 tp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.527 0.203 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -165.03 108.55 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.706 ' CG2' ' CE1' ' A' ' 94' ' ' HIS . 12.6 mm -119.4 136.91 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 179.15 7.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.552 HG12 ' CD1' ' A' ' 49' ' ' TRP . 9.6 mt -110.44 138.19 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.408 ' CB ' ' OG ' ' A' ' 50' ' ' SER . 9.1 t70 -125.28 124.77 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -122.69 104.12 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 7' ' ' ASP . 0.6 OUTLIER 37.54 60.43 1.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -154.73 109.22 2.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 119.85 118.08 2.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -63.9 -53.05 56.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -60.41 -33.6 72.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.754 HG22 HD11 ' A' ' 57' ' ' LEU . 15.8 t -72.3 -49.45 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 10' ' ' GLY . 39.5 t -61.19 -49.62 83.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -52.79 -40.88 63.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -38.41 80.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.7 t -75.6 -30.6 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -76.91 -69.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER 170.39 88.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -94.65 -56.55 2.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.618 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.62 HD21 ' O ' ' A' ' 74' ' ' LYS . 4.3 mp . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -164.89 42.07 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.262 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.8 -176.01 21.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -47.16 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -42.53 -30.47 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.51 HD11 ' HG3' ' A' ' 64' ' ' LYS . 6.5 mm -95.5 129.32 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.596 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 93.8 m -109.33 137.97 46.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 62' ' ' ALA . 7.0 m-85 -117.6 127.81 54.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.596 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 17.0 m-90 -104.52 141.0 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.408 ' OG ' ' CB ' ' A' ' 6' ' ' ASP . 71.4 m -129.01 144.15 51.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.799 ' C ' ' HB3' ' A' ' 58' ' ' ALA . . . -117.45 133.36 56.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -117.43 126.14 52.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 108.032 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.603 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 60.1 tt0 -135.88 77.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.37 -133.66 11.77 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.65 13.3 30.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.343 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -133.38 148.04 51.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.754 HD11 HG22 ' A' ' 13' ' ' VAL . 3.2 mm? -57.06 119.01 5.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.892 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -68.06 -20.5 64.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.32 177.61 17.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.458 ' O ' HG11 ' A' ' 91' ' ' VAL . 63.7 m -140.84 151.94 44.74 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -157.55 147.89 16.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.426 ' HB2' ' CD1' ' A' ' 48' ' ' PHE . . . -155.34 155.68 34.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.666 HD22 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -142.36 139.67 31.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.51 ' HG3' HD11 ' A' ' 46' ' ' ILE . 25.1 ttpt -96.82 135.81 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.38 112.75 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -93.44 -77.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 37.8 m-20 -121.49 -172.87 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.1 t -66.8 -32.56 73.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -131.35 21.03 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.432 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 19.4 t-80 -127.13 143.45 51.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.588 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -146.92 179.99 23.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 21.6 tt0 -162.57 149.91 13.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 108' ' ' SER . 1.4 mp -91.92 120.44 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.62 ' O ' HD21 ' A' ' 41' ' ' LEU . 7.2 mmpt? -120.78 43.76 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.3 t -176.5 116.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 173.11 111.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.36 114.8 11.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 96.0 m -155.31 146.31 22.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.397 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.1 t -178.12 40.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.45 150.07 25.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.6 p -107.28 33.48 3.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.034 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -104.47 -10.83 17.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.586 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mt -143.07 149.35 38.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.2 114.32 18.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.0 86.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.72 -62.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 58' ' ' ALA . 24.7 t -62.19 -61.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.98 -31.12 71.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -46.69 73.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.15 -55.01 39.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.458 HG11 ' O ' ' A' ' 60' ' ' CYS . 89.2 t -56.69 -48.78 80.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 50.3 tp -56.59 -45.49 81.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -36.62 78.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.706 ' CE1' ' CG2' ' A' ' 3' ' ' ILE . 8.1 t-160 -65.76 -50.62 64.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.625 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.61 HG13 HD12 ' A' ' 63' ' ' LEU . 1.3 mp -53.03 -47.88 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.695 HD13 ' CE1' ' A' ' 127' ' ' PHE . 21.4 mt -61.51 -37.88 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -52.93 60.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.457 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 1.6 mp0 -55.51 -46.36 76.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.596 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . . . -70.38 -30.57 67.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.544 ' HG3' HG22 ' A' ' 96' ' ' ILE . 0.9 OUTLIER -71.46 -40.04 70.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -29.28 61.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -43.11 40.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.08 52.12 1.67 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.596 ' CD2' ' HA ' ' A' ' 99' ' ' ALA . 22.5 m-85 -74.21 -173.36 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -111.88 -34.58 5.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.05 158.96 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.2 mt -116.43 120.14 37.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.735 ' O ' HD12 ' A' ' 73' ' ' ILE . 64.3 p -101.14 169.02 9.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.962 HD22 ' CD1' ' A' ' 124' ' ' TYR . 1.4 pp -156.82 170.0 23.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -105.48 109.8 21.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.602 HG23 HD13 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -144.27 123.33 12.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.553 ' HA2' HG22 ' A' ' 145' ' ' VAL . . . -142.46 53.11 0.63 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 p 42.05 53.52 4.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.616 ' HE3' ' HA ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -105.25 134.71 47.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.53 -46.87 70.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 96.4 p -56.67 -28.53 60.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -124.91 39.32 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 2.6 mt-10 -74.92 -50.34 4.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -75.01 -27.25 10.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.0 86.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.449 ' NE ' ' OH ' ' A' ' 131' ' ' TYR . 18.3 ttp-105 -71.82 -35.13 69.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.16 -28.18 60.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 123' ' ' LEU . 2.0 tm? -75.39 -38.91 59.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.962 ' CD1' HD22 ' A' ' 109' ' ' LEU . 4.7 m-85 -63.63 -51.99 62.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.5 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.4 OUTLIER -62.81 -28.07 69.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.7 m -62.83 -14.07 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.695 ' CE1' HD13 ' A' ' 96' ' ' ILE . 53.8 t80 -98.95 -17.47 18.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 132.88 -26.1 3.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 149' ' ' LYS . 12.4 m-85 -34.91 131.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -102.35 147.35 26.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.503 ' CE1' ' CE ' ' A' ' 147' ' ' MET . 15.6 m-85 -79.54 83.58 5.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.445 ' O ' ' O ' ' A' ' 133' ' ' GLU . 89.1 m -153.04 157.8 41.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 108.258 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 132' ' ' CYS . 1.4 tt0 55.88 113.91 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.546 ' O ' ' CG ' ' A' ' 135' ' ' PHE . 18.1 Cg_endo -75.04 177.74 8.2 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.809 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 108' ' ' SER . 13.2 m-85 -173.64 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -40.05 154.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.66 -44.56 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -60.97 175.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -123.15 -168.54 13.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 141' ' ' ASP . 44.4 mt-10 -59.1 153.66 17.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 110.329 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 140' ' ' GLU . 7.7 m-20 163.14 161.55 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 0.27 9.07 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -129.18 58.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.3 t -151.68 178.9 8.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.553 HG22 ' HA2' ' A' ' 112' ' ' GLY . 35.0 m -140.43 179.99 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -154.81 163.73 39.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.792 ' CB ' HD11 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -159.57 129.17 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.048 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.6 t -139.24 148.98 43.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -120.54 146.48 46.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.4 122.38 46.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.555 0.216 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.435 ' NE2' ' HG3' ' A' ' 4' ' ' LYS . 10.0 t-160 -165.15 107.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.582 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.652 HG21 ' CG ' ' A' ' 94' ' ' HIS . 6.7 mm -120.2 137.42 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.435 ' HG3' ' NE2' ' A' ' 2' ' ' HIS . 5.9 mttt -143.46 177.14 8.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.571 HG12 ' CD1' ' A' ' 49' ' ' TRP . 10.9 mt -111.3 131.56 62.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.418 ' OD1' HG11 ' A' ' 13' ' ' VAL . 4.6 t0 -96.18 118.76 33.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 8' ' ' LEU . 4.8 m-20 -125.2 100.77 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 7' ' ' ASP . 2.8 mp 39.67 59.03 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.69 160.78 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 115.62 105.82 2.53 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -56.83 6.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -60.18 -30.66 69.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.859 HG23 ' CH2' ' A' ' 52' ' ' TRP . 2.7 t -74.69 -53.6 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' GLY . 25.2 t -58.85 -45.68 91.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -33.08 59.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -73.23 -44.57 59.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.12 -23.02 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -92.7 -19.93 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.26 166.41 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -53.12 -31.26 41.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.642 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.643 HD12 ' CZ ' ' A' ' 48' ' ' PHE . 1.6 mm? . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -96.64 57.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.6 175.1 28.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.43 9.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.441 1.759 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -60.45 -32.99 71.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.619 HG21 HD13 ' A' ' 41' ' ' LEU . 6.7 mt -114.4 141.15 31.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.594 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 17.7 m -107.87 139.48 42.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.643 ' CZ ' HD12 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -116.74 122.34 44.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.594 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 17.4 m-90 -105.96 135.1 48.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 108.021 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 m -134.64 138.38 44.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.84 ' C ' ' HB3' ' A' ' 58' ' ' ALA . . . -104.67 134.96 46.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.859 ' CH2' HG23 ' A' ' 13' ' ' VAL . 6.6 m95 -117.64 129.52 55.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.595 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 2.1 tt0 -135.47 76.75 1.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.9 -130.15 9.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.53 3.83 27.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -123.63 -177.27 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 13' ' ' VAL . 1.1 mt -76.33 149.61 37.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.84 ' HB3' ' C ' ' A' ' 51' ' ' ALA . . . -111.12 -18.17 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.73 ' HA2' HG21 ' A' ' 78' ' ' THR . . . 152.16 160.37 9.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -136.27 137.45 40.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -138.44 153.95 22.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.518 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . . . -143.34 152.09 41.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.554 ' HG ' ' CH2' ' A' ' 49' ' ' TRP . 1.5 pp -157.59 120.79 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HG3' HD11 ' A' ' 46' ' ' ILE . 8.6 ttpt -99.1 126.77 44.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -41.11 150.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.489 HD13 ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -140.09 -87.91 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -117.02 -175.11 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 t -70.55 -27.29 64.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -136.45 30.5 2.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -135.09 137.14 42.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.578 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.14 165.49 26.62 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.489 ' HG3' HD13 ' A' ' 66' ' ' LEU . 5.1 mt-10 -145.5 148.95 33.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.564 HD11 ' CD2' ' A' ' 107' ' ' LEU . 3.2 mp -118.13 139.27 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.06 47.12 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.13 118.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.537 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -159.25 57.87 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.32 150.65 30.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.73 HG21 ' HA2' ' A' ' 59' ' ' GLY . 15.1 t -173.79 158.79 3.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 p 60.65 152.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.22 52.11 2.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.03 29.09 5.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.96 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -90.31 -7.45 53.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mt -116.53 150.64 37.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -101.89 97.08 7.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 48.58 -173.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.46 -61.02 1.51 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.744 HG12 ' O ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -45.89 -57.05 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.537 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -55.65 -39.04 70.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -48.82 72.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.439 ' HB3' HD11 ' A' ' 3' ' ' ILE . 4.4 mm100 -56.97 -50.31 73.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.462 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 59.9 t -61.23 -54.81 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.814 HD22 HD12 ' A' ' 123' ' ' LEU . 5.8 tp -48.36 -50.87 28.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -43.56 73.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.652 ' CG ' HG21 ' A' ' 3' ' ' ILE . 9.2 t-160 -64.88 -39.56 93.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.646 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.0 mm -57.3 -53.78 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.478 HD12 ' CE1' ' A' ' 127' ' ' PHE . 48.1 mt -60.76 -50.25 81.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -46.4 78.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -59.32 -46.92 87.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.73 -31.06 68.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -59.04 -33.98 71.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -52.68 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -53.57 -40.79 65.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.03 61.18 0.95 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.48 1.113 . . . . 0.0 111.054 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 102' ' ' ARG . 56.5 m-85 -97.91 165.81 11.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.747 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.8 12.16 2.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.27 136.98 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.761 HD12 HD11 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -138.36 139.79 39.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.533 ' O ' HD12 ' A' ' 73' ' ' ILE . 59.6 p -109.67 169.13 8.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.954 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.932 HD23 ' CE1' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -160.11 168.83 24.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.832 ' N ' HD12 ' A' ' 109' ' ' LEU . 1.2 pm0 -104.96 107.38 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.639 ' HB ' HD11 ' A' ' 109' ' ' LEU . 1.6 m -157.51 125.58 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.607 ' HA2' HG22 ' A' ' 145' ' ' VAL . . . -153.49 28.51 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 1.3 m 90.58 -14.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 110.043 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.558 ' HG2' ' CD2' ' A' ' 117' ' ' PHE . 1.6 tpt -36.08 117.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.31 -48.81 65.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -22.51 6.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.558 ' CD2' ' HG2' ' A' ' 114' ' ' MET . 25.1 m-85 -124.96 31.19 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.3 mt-10 -61.67 -50.29 82.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.98 -21.85 15.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.502 1.79 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.94 -46.87 61.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.408 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 13.2 ttp-105 -66.22 -41.68 89.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -33.31 69.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.366 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.814 HD12 HD22 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -72.23 -38.05 69.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.882 ' CE1' HD13 ' A' ' 109' ' ' LEU . 7.1 m-85 -71.52 -50.46 31.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.465 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 28.9 mt-10 -55.21 -25.05 30.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -21.47 61.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.798 ' CD2' HD23 ' A' ' 92' ' ' LEU . 2.4 m-85 -91.56 -17.12 26.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 117.24 -8.12 16.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.932 ' CE1' HD23 ' A' ' 109' ' ' LEU . 3.5 m-85 -38.21 134.44 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -124.59 166.87 15.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -80.02 137.71 36.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.483 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 0.1 OUTLIER -160.87 -164.71 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.266 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 132' ' ' CYS . 1.9 mp0 -38.64 123.4 1.16 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.99 164.61 33.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.812 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -176.1 -69.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 111.058 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . 39.64 -153.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -93.09 14.97 16.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -144.11 -147.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -140.01 163.89 26.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.97 165.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -177.03 166.6 1.36 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -8.92 20.55 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.444 1.76 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -139.72 69.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.31 178.58 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.607 HG22 ' HA2' ' A' ' 112' ' ' GLY . 5.7 m -150.72 171.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 134' ' ' PRO . 0.7 OUTLIER -146.87 165.48 29.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.956 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.549 ' HB3' HD21 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -158.16 144.53 17.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 132' ' ' CYS . 0.7 OUTLIER -139.06 148.57 43.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.411 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 9.1 tmtm? -105.91 124.03 48.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.16 103.55 13.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.761 HD11 HD12 ' A' ' 107' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.8 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.524 0.202 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.34 111.75 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.634 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.577 HD13 ' CB ' ' A' ' 51' ' ' ALA . 12.0 mm -116.5 136.4 53.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.81 176.74 8.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.517 HG12 ' CD1' ' A' ' 49' ' ' TRP . 41.1 mt -112.94 130.83 66.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -131.93 140.2 48.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.41 103.06 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.59 -173.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 63.92 144.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 100.48 117.41 4.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -55.64 31.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -66.93 -32.11 73.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.5 -49.66 68.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 10' ' ' GLY . 72.5 t -69.94 -49.08 59.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -51.43 -33.08 29.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.881 HD21 ' O ' ' A' ' 77' ' ' ARG . 3.0 tm? -67.92 -42.91 80.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.873 HG22 ' CZ ' ' A' ' 48' ' ' PHE . 75.4 t -67.07 -44.06 88.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.68 -70.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 169.16 99.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -96.68 -51.11 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.597 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 80' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.64 ' HA ' HG21 ' A' ' 46' ' ' ILE . 4.8 mp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 178.07 69.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.21 177.71 37.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 53.96 3.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.47 -41.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.808 HD13 ' HB2' ' A' ' 64' ' ' LYS . 1.4 mm -90.0 135.54 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.504 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 38.2 m -129.34 134.6 47.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.391 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.873 ' CZ ' HG22 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -108.56 120.2 41.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CD1' ' CD2' ' A' ' 94' ' ' HIS . 12.2 m-90 -91.38 132.72 36.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.0 m -122.3 129.85 52.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.701 ' C ' ' HB3' ' A' ' 58' ' ' ALA . . . -99.37 134.55 42.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.535 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 4.0 m95 -123.51 131.94 53.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.008 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.443 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 11.8 tt0 -142.82 76.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.31 -132.47 11.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.04 17.48 24.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -137.3 139.52 40.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.535 HD21 ' CZ3' ' A' ' 52' ' ' TRP . 2.8 mm? -53.65 123.97 13.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.701 ' HB3' ' C ' ' A' ' 51' ' ' ALA . . . -77.22 -15.15 59.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.474 ' CA ' HG13 ' A' ' 87' ' ' VAL . . . 143.57 171.63 13.93 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.438 1.086 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.549 ' HB2' HD12 ' A' ' 16' ' ' LEU . 87.4 m -149.71 157.0 42.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -177.49 152.8 12.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 74' ' ' LYS . . . -107.23 157.58 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.444 HD23 ' CH2' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -154.51 114.89 3.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.808 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -126.45 129.29 48.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -48.01 156.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 72' ' ' GLU . 3.3 mt -129.9 -65.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.28 -168.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -61.37 -42.39 98.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.0 mtt-85 -134.94 36.58 3.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -137.22 135.21 37.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.22 175.11 21.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' HB2' HD12 ' A' ' 66' ' ' LEU . 41.5 tt0 -148.74 159.59 43.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.754 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 73' ' ' ILE . 1.8 mp -109.97 137.59 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 62' ' ' ALA . 8.0 mmpt? -121.63 144.52 48.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 74' ' ' LYS . 58.3 m 42.04 92.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.32 98.05 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.881 ' O ' HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -136.78 138.55 41.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 t -80.41 -175.13 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.3 t -118.45 153.46 34.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.47 ' HB2' HD22 ' A' ' 21' ' ' LEU . . . -95.1 60.38 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.846 ' OG ' HD12 ' A' ' 83' ' ' LEU . 21.6 p -98.1 24.78 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 21.3 m170 65.77 47.64 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.61 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.846 HD12 ' OG ' ' A' ' 81' ' ' SER . 11.0 mt -116.62 159.12 22.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -126.41 105.79 9.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.53 ' HG3' HD23 ' A' ' 123' ' ' LEU . 0.0 OUTLIER 44.32 90.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.43 -62.24 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.627 HG23 HD13 ' A' ' 83' ' ' LEU . 3.2 t -46.87 -61.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.52 -31.43 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -42.36 89.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -48.98 77.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.97 -55.1 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.699 HD13 ' O ' ' A' ' 92' ' ' LEU . 0.6 OUTLIER -48.06 -37.17 14.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -41.86 94.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.574 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 33.7 t60 -73.41 -27.02 61.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.42 -47.23 93.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.698 ' CD1' ' CE2' ' A' ' 127' ' ' PHE . 34.3 mt -67.9 -38.64 80.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -45.97 72.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -56.38 -47.66 78.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.629 ' CB ' HD11 ' A' ' 107' ' ' LEU . . . -69.8 -32.82 71.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.76 -38.74 73.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -15.36 61.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.25 -43.08 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.6 44.47 1.14 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.537 ' O ' HD22 ' A' ' 151' ' ' LEU . 3.5 m-30 -95.37 168.82 10.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.48 10.75 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -163.15 160.23 23.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.629 HD11 ' CB ' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -152.72 135.4 15.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.5 p -114.49 167.74 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.658 ' C ' HD12 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -170.26 166.4 8.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.626 ' N ' HD12 ' A' ' 109' ' ' LEU . 1.9 pt-20 -103.42 131.63 50.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.486 ' HB ' HD11 ' A' ' 109' ' ' LEU . 1.4 t -163.34 -178.89 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.785 ' HA2' HG22 ' A' ' 145' ' ' VAL . . . -175.95 -142.97 4.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 p -116.86 0.19 12.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 0.0 109.999 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.564 ' HB3' ' CD2' ' A' ' 117' ' ' PHE . 4.5 tpt -58.74 146.64 36.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.91 -29.37 28.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.6 t -76.53 -30.71 57.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.055 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 11.6 m-85 -105.03 14.67 28.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER -75.08 -53.07 2.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.93 -44.54 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.588 ' O ' ' CD1' ' A' ' 124' ' ' TYR . . . -52.04 -34.87 45.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -79.64 -33.27 41.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.424 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 0.3 OUTLIER -75.08 -26.77 59.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.65 HD13 ' C ' ' A' ' 123' ' ' LEU . 2.3 tm? -76.85 -36.43 56.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 120' ' ' ALA . 7.5 m-85 -70.35 -51.69 28.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.424 ' CG ' ' HA ' ' A' ' 122' ' ' LYS . 0.2 OUTLIER -59.68 -27.01 66.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -18.7 60.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.055 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.698 ' CE2' ' CD1' ' A' ' 96' ' ' ILE . 1.4 t80 -99.28 -17.21 18.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 133.83 -34.87 2.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 10.1 m-85 -33.87 135.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -120.27 153.56 36.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.491 ' HA ' ' O ' ' A' ' 146' ' ' PHE . 5.8 p90 -108.71 107.05 17.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 133' ' ' GLU . 59.3 m -101.87 -164.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 132' ' ' CYS . 2.5 pt-20 -37.09 149.77 0.16 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 159.61 41.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.588 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 3.1 t80 -172.8 -86.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.588 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 40.67 -101.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -137.87 29.56 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -151.53 -173.05 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 111.007 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -118.29 -169.97 14.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -50.28 156.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 110.318 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.1 159.35 3.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -10.38 21.21 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -148.17 69.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 34.3 m -166.47 139.05 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.785 HG22 ' HA2' ' A' ' 112' ' ' GLY . 22.0 m -149.08 -171.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 131' ' ' TYR . 79.0 t80 -153.55 132.31 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.26 138.17 40.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 7.2 t -139.96 133.29 29.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -101.3 132.15 46.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.245 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.84 110.8 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.537 HD22 ' O ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.42 ' HG2' ' NE2' ' A' ' 90' ' ' GLN . 3.5 mtt . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.483 0.182 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 109.08 0.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.776 HD13 ' CB ' ' A' ' 51' ' ' ALA . 24.9 mm -118.82 136.9 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -146.79 178.37 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.556 HG12 ' CD1' ' A' ' 49' ' ' TRP . 38.2 mt -108.06 133.16 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.536 ' OD2' HG11 ' A' ' 13' ' ' VAL . 26.9 t70 -95.17 118.76 32.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -125.09 100.95 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 55.64 168.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 10' ' ' GLY . 0.5 OUTLIER 64.68 168.14 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 9' ' ' THR . . . 100.59 92.2 2.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -50.07 72.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.16 -45.06 94.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.921 HG22 HD11 ' A' ' 57' ' ' LEU . 50.4 t -58.27 -54.38 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.3 t -61.27 -48.2 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -55.8 -36.82 67.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.52 -46.77 68.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.612 HG21 ' CZ ' ' A' ' 48' ' ' PHE . 54.2 t -64.41 -31.92 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -68.05 -64.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 178.94 106.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -96.61 -58.89 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.608 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -170.72 75.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.249 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 174.47 166.02 31.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.44 1.087 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 53.59 3.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.778 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -138.94 -45.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.6 mt -93.36 144.98 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.544 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 13.0 m -113.35 142.86 45.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.437 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.612 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -117.64 123.4 46.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.71 ' CH2' HD23 ' A' ' 63' ' ' LEU . 18.6 m-90 -100.44 151.98 20.91 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.1 m -165.08 145.44 7.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.776 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -103.89 166.09 10.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.478 ' HZ3' HD21 ' A' ' 57' ' ' LEU . 3.1 m95 -143.81 117.74 9.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 108.016 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.591 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 2.7 tt0 -131.64 76.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.88 -129.94 8.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.76 10.8 24.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -130.15 161.84 30.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.921 HD11 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -68.19 121.23 15.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HB2' ' N ' ' A' ' 53' ' ' GLU . . . -78.94 -9.46 59.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.587 ' HA3' HG23 ' A' ' 91' ' ' VAL . . . 152.54 149.58 5.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.544 1.152 . . . . 0.0 110.966 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.611 ' N ' HG21 ' A' ' 91' ' ' VAL . 25.2 p -147.1 158.92 44.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.425 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . -179.1 163.4 30.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.46 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . . . -118.19 144.52 45.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.71 HD23 ' CH2' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -146.27 114.58 6.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HG2' ' CE ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -97.86 151.18 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.79 124.05 28.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.06 -53.8 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 70' ' ' HIS . 3.8 m-20 -145.71 -178.47 6.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.3 t -64.54 -18.09 64.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -144.94 45.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.472 ' CB ' ' OD1' ' A' ' 67' ' ' ASP . 3.0 t-160 -146.44 147.47 31.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.579 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -158.68 135.74 4.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.461 ' O ' ' CE ' ' A' ' 74' ' ' LYS . 7.8 tt0 -127.43 132.41 50.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.764 HG12 HD13 ' A' ' 95' ' ' ILE . 4.0 mp -98.61 145.86 9.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.461 ' CE ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -140.29 59.96 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 t 177.72 155.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.608 ' SD ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 172.91 79.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -121.86 103.85 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.668 HG23 ' HB ' ' A' ' 87' ' ' VAL . 5.3 m -75.36 -97.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.536 ' N ' HG22 ' A' ' 78' ' ' THR . 0.3 OUTLIER -157.72 163.83 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.02 -62.82 0.76 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 p -170.44 37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -74.5 -114.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.623 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.15 152.64 36.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 mmm-85 -106.13 123.3 47.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 40.79 87.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.4 -58.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.668 ' HB ' HG23 ' A' ' 78' ' ' THR . 2.8 t -53.46 -59.43 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.618 ' HB2' ' OG1' ' A' ' 78' ' ' THR . . . -60.31 -35.84 76.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -60.63 -39.55 88.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.42 ' NE2' ' HG2' ' A' ' 1' ' ' MET . 6.0 mt-30 -57.44 -40.92 79.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.611 HG21 ' N ' ' A' ' 60' ' ' CYS . 25.2 t -74.84 -51.05 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.868 HD23 ' CD1' ' A' ' 127' ' ' PHE . 8.0 tp -51.58 -53.89 33.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -30.23 70.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.604 ' CD2' HG23 ' A' ' 3' ' ' ILE . 1.2 t60 -68.92 -57.86 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.631 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.764 HD13 HG12 ' A' ' 73' ' ' ILE . 12.6 mt -53.3 -46.56 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.07 -37.9 64.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -43.31 87.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.03 -47.6 85.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.42 ' HB1' ' CG ' ' A' ' 104' ' ' TYR . . . -69.52 -32.91 72.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.03 -52.25 65.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -53.0 58.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -38.97 93.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . 87.51 75.46 1.28 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.42 ' CG ' ' HB1' ' A' ' 99' ' ' ALA . 3.6 m-85 -83.49 -172.29 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -110.09 -35.16 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -162.97 157.66 21.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.4 mt -117.75 134.08 55.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.481 ' O ' HD12 ' A' ' 73' ' ' ILE . 11.7 m -101.92 166.93 10.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.075 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.978 HD23 ' CE2' ' A' ' 129' ' ' PHE . 4.5 pp -147.43 163.05 37.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.94 103.84 13.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.521 ' O ' ' CZ ' ' A' ' 138' ' ' TYR . 15.1 t -152.73 149.57 28.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . -164.62 28.51 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 1.4 m 91.01 -16.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.7 tpt -38.9 127.16 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.72 75.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.152 . . . . 0.0 109.362 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.87 -21.25 2.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -124.77 29.93 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 6.3 mt-10 -68.65 -50.54 24.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 110.254 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.98 -20.33 17.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.18 90.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.534 ' HA ' ' CD1' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -67.68 -37.74 82.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -31.59 72.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -30.35 58.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.624 ' CD1' HD22 ' A' ' 109' ' ' LEU . 18.9 m-30 -73.07 -50.1 24.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.93 -28.14 67.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.219 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -30.82 48.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.955 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.868 ' CD1' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -82.18 -17.0 47.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.44 82.27 1.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.978 ' CE2' HD23 ' A' ' 109' ' ' LEU . 2.3 m-85 -143.51 135.66 26.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 110.978 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -121.88 151.71 40.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -57.23 140.58 49.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.415 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 1.5 m -161.89 177.14 10.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 108.289 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -56.14 142.22 67.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 114.69 4.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.791 . . . . 0.0 111.037 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -92.87 -33.31 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -44.72 -90.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -154.83 -61.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.521 ' CZ ' ' O ' ' A' ' 111' ' ' THR . 2.8 p90 -44.21 159.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -126.02 -162.12 11.17 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -57.89 163.62 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 167.05 172.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -22.19 15.15 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.47 1.774 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -131.12 59.14 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 31.0 t -144.09 135.04 25.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 10.3 m -134.83 153.84 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 132' ' ' CYS . 0.4 OUTLIER -157.87 148.26 20.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.542 ' CG ' HD21 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -158.54 160.06 36.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.7 t -136.22 155.17 50.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -102.72 132.03 49.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -96.52 117.74 31.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.49 0.186 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.18 108.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.592 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.62 HG21 ' CG ' ' A' ' 94' ' ' HIS . 17.3 mm -119.73 137.28 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.56 176.65 8.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.522 HG12 ' CD1' ' A' ' 49' ' ' TRP . 31.1 mt -108.97 134.52 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 9' ' ' THR . 7.6 t70 -116.5 143.99 44.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -125.22 100.56 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 7' ' ' ASP . 1.0 OUTLIER 39.18 62.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.4 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 1.2 m -160.95 160.9 31.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 99.18 115.07 3.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mmt-85 -63.52 -56.23 17.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -60.88 -45.09 95.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.373 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.601 HG13 ' CB ' ' A' ' 60' ' ' CYS . 7.2 t -61.2 -39.82 83.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 10' ' ' GLY . 9.3 t -72.63 -50.78 31.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -41.39 57.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.686 HD12 ' O ' ' A' ' 77' ' ' ARG . 1.4 mm? -58.63 -44.38 90.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 13' ' ' VAL . 97.7 t -63.43 -49.66 81.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -61.94 -14.54 35.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 55.76 72.52 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -75.25 -44.69 44.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.612 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.837 HD13 ' HB3' ' A' ' 79' ' ' SER . 3.3 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -80.03 56.1 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.01 174.46 21.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.153 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.428 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -75.0 166.43 29.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 44' ' ' PRO . 15.4 pt-20 43.3 54.99 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.555 HD13 ' HB2' ' A' ' 64' ' ' LYS . 6.7 mm -111.75 133.77 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.59 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 51.9 m -134.38 140.16 46.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -119.28 123.45 44.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 19.0 m-90 -100.32 149.29 23.76 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.9 p -144.84 151.41 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.579 ' CB ' ' CD1' ' A' ' 3' ' ' ILE . . . -113.52 149.06 34.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.557 ' CH2' ' CG2' ' A' ' 13' ' ' VAL . 14.3 m95 -143.17 116.65 9.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 108.059 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -129.8 76.64 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.84 -130.06 6.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.71 -4.97 21.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -127.81 154.84 44.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.548 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -53.16 154.1 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 87' ' ' VAL . . . -115.35 4.71 14.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.91 154.16 6.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.601 ' CB ' HG13 ' A' ' 13' ' ' VAL . 21.7 p -145.39 155.94 43.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . 172.13 167.49 32.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.568 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . . . -116.01 172.52 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.97 HD12 HG23 ' A' ' 95' ' ' ILE . 1.7 tt -163.59 118.23 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.555 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -126.3 132.05 51.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -52.57 155.57 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.45 -58.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -135.2 -169.82 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.4 t -61.19 -39.17 89.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 69' ' ' ARG . 20.1 mtm105 -137.17 42.75 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.412 ' NE2' ' OG ' ' A' ' 108' ' ' SER . 8.8 t-80 -146.08 133.06 20.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.548 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -140.28 172.02 23.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -150.1 150.94 32.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.589 HG12 HG21 ' A' ' 95' ' ' ILE . 3.8 mp -109.78 141.48 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.53 -106.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.9 m -47.65 131.74 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.572 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 176.55 83.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.686 ' O ' HD12 ' A' ' 16' ' ' LEU . 20.5 mtt180 -144.22 153.37 41.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 m -163.95 149.86 11.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.837 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.1 OUTLIER 172.1 -156.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HB2' ' CB ' ' A' ' 21' ' ' LEU . . . 68.76 -168.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.7 p -74.87 63.94 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -137.26 -178.76 5.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.1 . . . . 0.0 109.589 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.8 143.73 55.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.44 157.18 34.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 mptt 41.09 88.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.501 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 149.46 -48.9 0.58 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 88' ' ' ALA . 1.1 t -54.4 -61.11 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.572 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -67.64 -38.45 83.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.491 ' HG3' HD11 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -58.85 -35.2 72.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 2.0 mm-40 -63.33 -44.91 93.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.5 t -68.09 -52.83 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.4 tp -48.21 -51.14 26.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -36.94 65.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.62 ' CG ' HG21 ' A' ' 3' ' ' ILE . 3.5 t-80 -68.31 -55.49 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.97 HG23 HD12 ' A' ' 63' ' ' LEU . 58.5 mt -53.24 -45.45 55.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.583 HD13 ' CE2' ' A' ' 127' ' ' PHE . 96.4 mt -58.33 -47.61 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -43.49 98.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.53 -49.91 71.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.497 ' HB1' ' CD1' ' A' ' 104' ' ' TYR . . . -66.73 -34.89 78.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -47.04 88.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -50.53 65.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -42.45 41.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.67 53.86 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.497 ' CD1' ' HB1' ' A' ' 99' ' ' ALA . 3.4 m-85 -94.51 163.65 13.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.772 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -139.18 13.21 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.418 ' N ' ' CD1' ' A' ' 151' ' ' LEU . 0.0 OUTLIER -162.82 154.69 18.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.546 HD12 HD21 ' A' ' 151' ' ' LEU . 0.9 OUTLIER -153.33 122.02 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.412 ' OG ' ' NE2' ' A' ' 70' ' ' HIS . 66.1 p -119.6 164.19 16.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.592 ' O ' ' CE2' ' A' ' 146' ' ' PHE . 1.1 pp -174.46 160.39 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.439 ' N ' HD12 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -93.84 124.04 37.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 111' ' ' THR . 7.7 t -172.22 99.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.588 ' C ' HG22 ' A' ' 145' ' ' VAL . . . -83.0 -113.9 0.52 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.7 p -153.93 40.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 109.99 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.61 ' HE3' ' HA ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -80.4 145.41 32.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.73 -27.3 17.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.4 t -70.58 -38.49 74.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -120.92 40.4 3.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 2.6 mt-10 -72.89 -50.55 6.98 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -75.03 -21.22 16.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.63 -50.2 73.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 45.9 ptt85 -69.42 -33.31 72.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -69.99 -24.99 63.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.491 HD11 ' HG3' ' A' ' 89' ' ' LYS . 17.6 tp -76.49 -29.25 56.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.415 ' C ' ' HB2' ' A' ' 129' ' ' PHE . 14.0 m-30 -72.88 -52.31 15.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.469 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.2 pp20? -58.57 -26.88 64.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.27 -11.34 59.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.973 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.583 ' CE2' HD13 ' A' ' 96' ' ' ILE . 23.6 t80 -99.47 -17.49 17.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 135.73 -33.78 2.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 11.9 m-85 -34.75 151.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.93 150.82 49.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.598 ' CE2' ' SD ' ' A' ' 147' ' ' MET . 29.5 m-85 -92.35 96.55 10.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 133' ' ' GLU . 2.7 m -145.69 141.29 27.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 108.335 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 132' ' ' CYS . 1.3 tt0 57.14 115.14 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.96 178.7 6.9 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.794 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.631 ' CB ' ' CD2' ' A' ' 146' ' ' PHE . 0.1 OUTLIER 173.01 -164.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 135' ' ' PHE . . . 70.3 -63.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 135' ' ' PHE . 0.2 OUTLIER -93.75 5.62 51.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 137' ' ' ASP . 62.6 m-85 57.51 152.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 49.64 179.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.15 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.08 177.98 8.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 174.73 155.31 0.33 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -36.62 2.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.555 1.818 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -114.9 55.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.43 133.4 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.588 HG22 ' C ' ' A' ' 112' ' ' GLY . 11.7 m -146.74 -173.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.631 ' CD2' ' CB ' ' A' ' 135' ' ' PHE . 81.0 t80 -153.34 167.54 29.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -138.12 146.42 42.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 11.7 t -139.31 150.44 45.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -121.44 138.3 54.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.55 103.51 11.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.546 HD21 HD12 ' A' ' 107' ' ' LEU . 2.0 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.452 ' N ' ' OE2' ' A' ' 53' ' ' GLU . 39.0 mtm . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.428 0.156 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.66 108.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.593 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.713 HG21 ' CG ' ' A' ' 94' ' ' HIS . 15.5 mm -119.41 137.44 53.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.23 176.57 11.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.574 HG12 ' CD1' ' A' ' 49' ' ' TRP . 35.0 mt -111.7 133.6 56.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -127.78 142.14 51.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -124.75 101.19 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 40.42 82.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -170.48 128.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.72 116.97 4.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.541 1.15 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.62 -53.84 48.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -65.32 -29.33 70.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.72 HG22 HD11 ' A' ' 57' ' ' LEU . 40.2 t -72.43 -42.21 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.9 t -76.51 -44.06 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.2 t -51.52 -35.69 41.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.88 -43.73 82.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.618 HG21 ' HE2' ' A' ' 48' ' ' PHE . 51.3 t -71.92 -23.94 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -80.14 -59.9 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 179.66 105.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -96.26 -58.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.544 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 70.9 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.59 78.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 169.19 166.19 27.82 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 53.32 3.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 46' ' ' ILE . 12.7 pt-20 -139.49 -45.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.432 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 2.6 mt -94.57 129.91 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.425 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 52.0 m -94.82 140.58 29.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.618 ' HE2' HG21 ' A' ' 17' ' ' VAL . 1.4 m-85 -114.6 124.18 51.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CD1' HG12 ' A' ' 5' ' ' ILE . 16.1 m-90 -96.3 123.12 39.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.014 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -104.62 -176.13 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 110.045 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.663 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -173.28 144.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -128.75 127.24 41.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 107.988 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.71 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 4.6 tp10 -132.4 79.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.148 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.61 -133.28 11.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -106.97 21.2 17.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -135.86 137.62 41.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.72 HD11 HG22 ' A' ' 13' ' ' VAL . 3.0 mm? -50.85 107.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.737 ' O ' HG22 ' A' ' 87' ' ' VAL . . . -57.47 -32.83 67.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.464 ' HA3' HG13 ' A' ' 87' ' ' VAL . . . 136.73 175.15 13.64 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.6 p -160.69 149.57 16.76 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.82 177.96 26.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.413 ' HB2' ' CD1' ' A' ' 48' ' ' PHE . . . -148.9 170.12 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.745 ' O ' HD12 ' A' ' 63' ' ' LEU . 4.1 pp -157.59 125.88 5.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -92.13 151.9 20.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.02 109.34 18.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.756 HD13 ' HG2' ' A' ' 72' ' ' GLU . 1.0 OUTLIER -89.24 -76.97 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.9 -176.54 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -75.21 -23.64 57.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' O ' ' CD1' ' A' ' 104' ' ' TYR . 4.8 mtt180 -116.93 -36.56 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -89.07 154.14 20.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.643 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.34 -169.91 15.73 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.756 ' HG2' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -151.69 148.87 28.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 0.791 . . . . 0.0 110.324 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.661 HD11 HD22 ' A' ' 107' ' ' LEU . 3.4 mp -122.44 119.7 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.12 164.26 21.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.553 ' O ' ' CB ' ' A' ' 76' ' ' MET . 0.1 OUTLIER 73.93 165.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.553 ' CB ' ' O ' ' A' ' 75' ' ' SER . 6.1 tmm? 84.82 123.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -150.32 147.87 28.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.4 m -71.51 145.43 49.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.6 m -90.11 -174.06 4.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.69 176.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.33 47.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -147.9 55.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.596 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.537 HD21 HG23 ' A' ' 87' ' ' VAL . 7.7 tt -133.27 157.14 46.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -102.41 131.77 48.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.52 158.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.03 118.11 4.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 58' ' ' ALA . 2.2 t -75.07 -61.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 92' ' ' LEU . . . -59.58 -32.44 70.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -62.72 -32.76 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.49 -54.26 12.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.517 HG11 ' HG3' ' A' ' 76' ' ' MET . 63.7 t -66.11 -49.5 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 44.8 tp -46.58 -44.17 17.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -48.99 79.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.713 ' CG ' HG21 ' A' ' 3' ' ' ILE . 12.5 t60 -67.62 -33.41 74.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.433 HG21 HG21 ' A' ' 73' ' ' ILE . 20.0 mm -60.65 -51.06 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.516 HD12 ' CE1' ' A' ' 127' ' ' PHE . 92.2 mt -67.01 -33.33 62.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -43.96 74.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -55.18 -49.56 71.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.482 ' HB2' HD21 ' A' ' 107' ' ' LEU . . . -66.19 -32.39 73.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -33.43 75.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -68.4 -52.93 27.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -39.44 91.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.03 61.54 1.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.418 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 4.3 m-85 -82.8 -178.72 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -93.77 -39.71 10.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -163.21 161.02 24.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.661 HD22 HD11 ' A' ' 73' ' ' ILE . 13.4 mt -109.31 126.31 53.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.478 ' O ' HD12 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -116.72 143.77 45.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.597 ' O ' ' CE1' ' A' ' 146' ' ' PHE . 1.1 pp -160.64 145.77 14.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -79.02 127.37 31.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.434 HG21 ' HB2' ' A' ' 147' ' ' MET . 1.4 t -162.56 64.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.376 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -43.08 -94.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 m -177.72 36.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.51 144.77 41.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.43 -27.02 22.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.3 m -65.58 -41.11 93.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.982 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -121.82 35.58 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.501 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.3 mt-10 -65.36 -51.4 52.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -74.98 -20.93 16.42 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.561 1.821 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.79 -51.01 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.51 ' HA ' ' CD1' ' A' ' 124' ' ' TYR . 22.2 ptt180 -67.02 -32.73 74.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 119' ' ' PRO . 0.8 OUTLIER -71.84 -25.6 62.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 123' ' ' LEU . 3.2 tt -78.14 -26.93 48.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.51 ' CD1' ' HA ' ' A' ' 121' ' ' ARG . 15.7 m-30 -74.38 -52.74 11.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.478 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.0 OUTLIER -55.65 -33.46 64.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -14.69 63.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.516 ' CE1' HD12 ' A' ' 96' ' ' ILE . 2.0 t80 -98.14 -17.27 19.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 134.71 -34.15 2.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 0.5 OUTLIER -35.33 143.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -120.72 153.97 36.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.641 ' CZ ' ' CE ' ' A' ' 147' ' ' MET . 66.6 m-85 -96.05 127.41 42.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.0 p 175.38 155.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 55.67 102.6 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.346 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -74.97 61.5 5.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 146' ' ' PHE . 0.9 OUTLIER -63.43 -159.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 135' ' ' PHE . . . 71.31 158.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' ALA . 0.0 OUTLIER -37.69 -49.59 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.456 ' CD2' ' C ' ' A' ' 138' ' ' TYR . 8.0 p90 -79.46 146.48 32.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -113.8 -151.62 10.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -46.94 163.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.56 165.71 0.53 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.48 18.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 143' ' ' ASN . 7.3 t-20 -148.4 78.67 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.69 129.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.93 154.24 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 109' ' ' LEU . 62.5 t80 -109.13 167.32 10.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.641 ' CE ' ' CZ ' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -134.87 135.38 41.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 4.3 t -139.28 138.08 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -111.45 149.97 30.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -113.56 121.35 43.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 46.1 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.471 ' CB ' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.557 0.218 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.98 119.39 31.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.566 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.493 HG21 ' CG ' ' A' ' 94' ' ' HIS . 1.1 mt -90.84 132.93 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.59 178.03 8.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.538 HG13 ' CD1' ' A' ' 49' ' ' TRP . 3.0 mt -88.69 140.81 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -138.78 122.23 17.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -117.76 114.3 23.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 71.78 -69.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -39.88 104.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.96 104.97 1.66 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -56.79 4.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -59.06 -25.61 63.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 t -73.8 -46.38 47.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -73.11 -47.1 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.3 -39.03 56.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 16' ' ' LEU . 3.4 tm? -63.83 -43.38 96.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.739 HG11 ' CZ ' ' A' ' 48' ' ' PHE . 69.5 t -69.54 -26.71 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -69.2 -12.87 62.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 54.86 89.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -87.01 -55.85 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.425 HD23 ' CE2' ' A' ' 48' ' ' PHE . 8.0 mp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -172.53 104.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 177.71 162.15 27.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 53.39 3.32 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 175.31 39.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 64' ' ' LYS . 10.6 mm -118.66 131.6 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.599 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 46.1 m -117.78 139.1 51.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.739 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -119.58 128.35 53.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.599 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 16.7 m-90 -103.35 166.54 10.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 107.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.419 ' CA ' ' SG ' ' A' ' 60' ' ' CYS . 22.8 p -142.19 143.14 32.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.15 134.05 55.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.471 ' O ' ' CB ' ' A' ' 1' ' ' MET . 6.1 m95 -124.26 139.01 54.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.56 ' OE2' HD21 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -153.63 75.88 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.67 -129.68 5.26 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.17 -1.5 15.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -131.35 160.3 35.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.918 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -64.02 130.95 46.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.641 ' HB1' HG22 ' A' ' 87' ' ' VAL . . . -78.92 -37.52 39.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.535 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 130.4 -156.97 21.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' CA ' ' A' ' 50' ' ' SER . 0.0 OUTLIER 170.19 -161.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.55 -137.0 2.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.97 158.96 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 49' ' ' TRP . 2.1 tt -164.35 114.91 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 4.5 tttt -121.64 142.15 50.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -74.75 141.33 44.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.744 HD13 ' HG2' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -115.85 -68.03 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.96 -158.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.3 p -79.58 -47.88 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 105' ' ' GLU . 31.9 ptt180 -127.97 32.62 4.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -147.14 126.41 13.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.78 -167.47 11.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.744 ' HG2' HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -148.15 152.4 37.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.784 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.752 HD11 HD22 ' A' ' 107' ' ' LEU . 2.4 mp -117.58 146.18 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -156.74 147.08 21.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.7 OUTLIER 82.85 117.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.983 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.408 ' CE ' HD23 ' A' ' 92' ' ' LEU . 10.9 ttt -160.32 111.07 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 110.962 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.16 134.49 54.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 83.3 m -56.73 -107.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.407 ' HB3' HD13 ' A' ' 83' ' ' LEU . 0.6 OUTLIER 171.63 125.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 40.4 40.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.64 -70.84 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -124.86 137.56 54.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.6 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.809 HD22 HG23 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -142.59 160.14 40.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.665 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -90.73 158.97 16.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.344 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 84' ' ' ARG . 0.4 OUTLIER 82.45 -66.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 127.21 101.71 1.16 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.809 HG23 HD22 ' A' ' 83' ' ' LEU . 2.2 t -74.92 -59.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.62 -31.16 24.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -65.67 -34.27 77.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -71.71 -48.01 50.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.1 t -57.2 -49.11 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.671 HD21 ' CE1' ' A' ' 124' ' ' TYR . 0.2 OUTLIER -55.48 -50.04 70.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -38.09 79.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.493 ' CG ' HG21 ' A' ' 3' ' ' ILE . 2.9 t60 -73.99 -32.61 63.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -44.2 98.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 45.0 mt -70.4 -40.72 77.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.86 -44.42 73.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.518 ' HG3' ' CE2' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -57.75 -50.57 72.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.349 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.4 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . . . -65.84 -31.52 72.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.77 -32.85 74.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.59 -53.02 31.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -41.31 77.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.75 69.55 1.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' A' ' 99' ' ' ALA . 49.5 m-85 -87.96 154.66 20.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 0.721 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -63.86 -44.48 92.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 149' ' ' LYS . 0.0 OUTLIER -161.45 160.27 29.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 73' ' ' ILE . 9.0 mt -108.18 121.51 45.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.7 p -101.02 168.5 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.607 HD22 ' CZ ' ' A' ' 124' ' ' TYR . 0.9 OUTLIER -161.12 178.35 9.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.511 ' HA ' ' HB2' ' A' ' 136' ' ' ALA . 8.3 mt-10 -104.63 113.8 27.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.4 131.57 9.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.84 45.12 0.66 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.547 ' N ' HG22 ' A' ' 145' ' ' VAL . 90.8 p 50.98 51.13 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.541 ' HE3' ' HA ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -100.82 136.28 40.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.56 -29.02 35.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.6 t -72.23 -31.63 66.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -124.24 40.98 3.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.1 tt0 -70.76 -51.0 12.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.98 -19.94 17.39 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.515 ' O ' ' CD2' ' A' ' 124' ' ' TYR . . . -60.74 -51.16 70.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 118' ' ' GLU . 3.4 ptm180 -63.05 -33.83 76.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -71.81 -36.82 70.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.8 tp -75.51 -35.48 60.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.671 ' CE1' HD21 ' A' ' 92' ' ' LEU . 10.8 m-85 -67.71 -52.0 42.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.472 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.3 OUTLIER -61.17 -30.65 70.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.9 t -70.82 -12.71 61.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -95.29 -14.41 23.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.16 -35.13 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 24.6 m-85 -40.15 139.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.99 148.81 50.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.468 ' CE1' ' HB ' ' A' ' 145' ' ' VAL . 7.6 m-85 -60.39 144.44 50.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.9 -176.06 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -39.21 158.68 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.469 ' HA ' ' CG ' ' A' ' 146' ' ' PHE . 18.1 Cg_endo -75.04 175.57 11.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 136' ' ' ALA . 5.2 m-85 -159.28 -41.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.511 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . . . -50.98 -178.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.37 33.55 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.404 ' O ' ' O ' ' A' ' 139' ' ' GLY . 0.9 OUTLIER -111.75 13.86 21.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . 37.84 -157.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -80.07 159.72 26.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 176.34 136.02 0.19 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.29 21.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -113.5 56.48 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.7 m -167.15 149.1 5.97 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.467 1.104 . . . . 0.0 109.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.547 HG22 ' N ' ' A' ' 113' ' ' SER . 9.1 m -114.48 165.77 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.469 ' CG ' ' HA ' ' A' ' 134' ' ' PRO . 83.5 m-85 -159.66 137.54 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.9 OUTLIER -140.35 146.07 37.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 12.4 t -121.39 154.66 36.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 31.6 tptt -101.3 142.49 32.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -100.33 116.53 32.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.469 0.176 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 109.19 18.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.615 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.95 HG21 ' CG ' ' A' ' 94' ' ' HIS . 34.3 mm -118.82 137.01 54.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -145.26 174.4 11.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.2 mt -105.84 127.24 61.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -116.37 131.09 57.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.89 100.87 7.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 57.62 174.69 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 64.29 151.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.21 102.43 2.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -55.69 31.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -55.25 -34.03 63.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 17' ' ' VAL . 97.1 t -74.86 -45.31 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.08 -52.84 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -50.69 -50.17 55.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.957 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.36 -47.25 82.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 13' ' ' VAL . 24.9 t -55.96 -34.78 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -73.39 -43.97 59.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 61.6 125.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -95.94 -34.2 11.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' A' ' 80' ' ' ALA . 2.7 mp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.528 HD13 HG21 ' A' ' 46' ' ' ILE . 2.2 mm? . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -95.12 55.82 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.29 177.32 31.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.54 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -46.22 -43.35 15.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.528 HG21 HD13 ' A' ' 41' ' ' LEU . 5.0 mt -105.81 154.67 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.499 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 32.5 m -130.85 139.25 50.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CZ ' ' O ' ' A' ' 61' ' ' GLY . 2.2 t80 -111.96 118.05 34.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.73 ' CH2' HD22 ' A' ' 63' ' ' LEU . 21.1 m-90 -93.08 138.73 31.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 107.985 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.5 m -139.16 131.94 29.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.814 ' C ' ' HB3' ' A' ' 58' ' ' ALA . . . -94.1 140.58 29.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.459 ' N ' ' HB3' ' A' ' 58' ' ' ALA . 21.0 m95 -124.48 123.59 40.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 107.987 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.668 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 1.1 tp10 -137.04 76.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.07 -127.76 7.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.25 15.45 19.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.83 170.36 16.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.506 HD11 ' HA ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -61.72 145.0 53.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.814 ' HB3' ' C ' ' A' ' 51' ' ' ALA . . . -112.92 -19.32 11.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.632 ' HA2' HG13 ' A' ' 87' ' ' VAL . . . 172.91 136.09 2.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.2 p -133.65 155.62 49.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.562 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . . . 172.26 -164.55 37.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -143.2 162.73 34.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.73 HD22 ' CH2' ' A' ' 49' ' ' TRP . 1.9 tt -160.92 117.38 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.455 ' N ' ' HZ1' ' A' ' 74' ' ' LYS . 3.3 tttt -121.51 142.61 49.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 143.39 56.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 66' ' ' LEU . 2.8 mt -119.75 -63.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -137.97 179.47 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 t -52.27 -33.56 42.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -141.95 44.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -139.88 138.89 36.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.572 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.61 161.41 27.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' HB3' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -150.85 151.97 33.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 110.347 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 62' ' ' ALA . 3.2 mp -122.65 143.32 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.455 ' HZ1' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -138.0 46.88 2.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.6 t -171.06 104.81 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.95 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.459 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -136.32 105.45 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -114.27 134.39 54.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.6 m -153.89 152.38 30.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.448 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.6 t 59.93 61.96 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.951 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.453 ' HA ' HD11 ' A' ' 21' ' ' LEU . . . -87.04 81.42 8.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.08 -59.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 174.44 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.561 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 84' ' ' ARG . 19.3 tp -132.32 157.4 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.413 ' N ' ' HG ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -91.13 158.99 16.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.0 mptt 67.99 -177.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . -105.71 127.78 9.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.632 HG13 ' HA2' ' A' ' 59' ' ' GLY . 53.0 t -74.77 -61.05 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.459 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -69.46 -30.21 68.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -48.35 71.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.529 HE21 ' HB1' ' A' ' 58' ' ' ALA . 7.1 mm100 -56.7 -42.21 78.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.4 t -75.34 -53.39 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.722 HD23 ' CD1' ' A' ' 127' ' ' PHE . 31.7 tp -47.55 -46.74 28.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -46.54 72.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.95 ' CG ' HG21 ' A' ' 3' ' ' ILE . 81.0 t60 -69.4 -41.22 76.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.542 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.676 HG23 HD12 ' A' ' 63' ' ' LEU . 13.8 mt -58.97 -47.65 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.64 HG21 ' HE3' ' A' ' 149' ' ' LYS . 53.4 mt -63.93 -34.36 67.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -38.14 72.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -62.64 -47.12 85.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.418 ' HA ' ' CD1' ' A' ' 104' ' ' TYR . . . -70.74 -31.39 68.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.2 -44.61 97.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.167 . . . . 0.0 110.335 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -52.31 65.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.06 -35.92 82.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.6 60.78 2.04 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 12.1 m-85 -69.2 -173.42 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 111.035 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.89 -42.67 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.19 160.67 24.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.713 ' HB2' HD11 ' A' ' 151' ' ' LEU . 5.5 tp -117.99 121.8 41.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.4 ' O ' HD12 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -109.04 168.6 9.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.609 ' O ' ' CE1' ' A' ' 146' ' ' PHE . 1.6 pp -168.27 174.73 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -96.79 134.7 39.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.569 ' HA ' ' CD1' ' A' ' 117' ' ' PHE . 5.9 t -173.67 135.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.452 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 145' ' ' VAL . . . -124.46 -134.2 4.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.2 p -128.09 31.13 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.571 ' HE3' ' HA ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -89.68 175.63 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.64 -27.37 58.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.2 t -77.14 -30.58 55.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.569 ' CD1' ' HA ' ' A' ' 111' ' ' THR . 13.9 m-85 -96.64 -28.4 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.48 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.2 OUTLIER -38.81 -55.94 2.56 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -75.0 -35.81 2.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.554 ' HB3' ' HA ' ' A' ' 117' ' ' PHE . . . -56.87 -49.42 75.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.547 ' HA ' ' CD2' ' A' ' 124' ' ' TYR . 5.0 ttp-105 -65.29 -33.47 76.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -27.41 65.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -28.07 62.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.574 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 23.0 m-30 -75.55 -53.34 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.54 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.9 pp20? -54.33 -27.7 37.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.03 -17.25 47.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.722 ' CD1' HD23 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -99.26 -17.68 17.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.473 ' O ' ' CG ' ' A' ' 149' ' ' LYS . . . 113.34 66.66 0.48 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 9.9 m-85 -133.51 125.71 29.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -97.72 153.85 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 146' ' ' PHE . 22.0 m-85 -72.63 142.08 48.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.45 -171.05 3.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.331 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -69.68 159.83 82.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.97 7.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.799 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.574 ' HB2' ' CE1' ' A' ' 146' ' ' PHE . 0.2 OUTLIER -108.64 -40.64 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -43.39 161.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -41.8 -43.81 3.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -50.18 125.54 12.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -89.64 170.78 37.15 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -43.5 161.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.435 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.2 OUTLIER 179.65 174.46 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 142' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.3 Cg_endo -75.02 1.99 7.14 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -155.53 79.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.23 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 33.6 p -141.45 142.28 33.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 112' ' ' GLY . 14.0 m -146.27 172.18 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.609 ' CE1' ' O ' ' A' ' 109' ' ' LEU . 47.8 t80 -161.78 167.42 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.586 ' O ' ' CE2' ' A' ' 146' ' ' PHE . 3.2 mmt -136.21 146.71 47.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.1 t -139.33 135.64 33.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.64 ' HE3' HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -108.02 130.75 55.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.77 121.76 36.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 107' ' ' LEU . 1.7 mp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mtt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.515 0.198 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 52' ' ' TRP . 42.8 m-70 -60.48 108.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.6 HD13 ' CB ' ' A' ' 51' ' ' ALA . 5.2 mm -119.49 136.94 55.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -143.94 174.57 10.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 48' ' ' PHE . 6.6 mt -105.73 135.94 41.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -106.5 128.72 54.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -125.03 100.92 6.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mp 56.07 167.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 10' ' ' GLY . 0.4 OUTLIER 71.1 170.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.478 ' N ' HG23 ' A' ' 9' ' ' THR . . . 95.65 109.29 2.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -72.95 -56.33 5.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.507 ' O ' HD13 ' A' ' 16' ' ' LEU . 12.4 mp0 -63.4 -29.56 70.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.556 HG22 HD11 ' A' ' 57' ' ' LEU . 50.6 t -74.54 -40.69 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -74.41 -47.11 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.19 -35.48 49.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.649 HD11 ' HA ' ' A' ' 79' ' ' SER . 3.4 mp -67.18 -36.44 81.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.414 HG13 ' OG ' ' A' ' 75' ' ' SER . 71.8 t -72.8 -46.85 51.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -56.02 -36.85 68.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.32 107.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -96.57 -35.09 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.584 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -158.66 75.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 176.38 -177.24 47.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -42.46 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -46.8 -29.89 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.1 mt -113.97 136.45 50.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.47 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 87.8 m -114.42 136.04 53.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.654 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -117.3 130.3 56.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.003 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.573 ' CD1' HG12 ' A' ' 5' ' ' ILE . 17.6 m-90 -104.38 141.15 36.85 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.7 m -134.22 125.68 28.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.6 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -91.9 130.73 37.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.407 ' CH2' HG21 ' A' ' 13' ' ' VAL . 2.1 m95 -125.14 136.31 53.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 107.955 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 2.1 tp10 -146.16 76.54 1.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.25 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.86 -126.18 7.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.42 8.08 21.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.279 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -127.47 159.98 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.556 HD11 HG22 ' A' ' 13' ' ' VAL . 3.9 mm? -69.47 124.37 23.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HB1' ' NE2' ' A' ' 90' ' ' GLN . . . -88.38 6.89 35.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.715 ' HA2' HG22 ' A' ' 87' ' ' VAL . . . 135.07 159.81 8.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.714 ' C ' HG21 ' A' ' 91' ' ' VAL . 26.5 p -145.99 158.59 43.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.71 ' HA3' HG11 ' A' ' 91' ' ' VAL . . . 170.63 -179.11 42.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.654 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . . . -155.0 175.75 13.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.566 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 1.5 pp -157.79 114.79 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -90.25 141.73 28.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -62.38 152.89 32.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.441 HD12 ' HG2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -134.58 -68.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.461 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -133.23 179.62 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.7 p -60.05 -30.05 68.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -136.3 40.14 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 2.4 t-160 -147.43 140.25 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.542 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -145.81 170.08 27.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' C ' HD13 ' A' ' 73' ' ' ILE . 16.1 pt-20 -134.31 176.79 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.46 HG12 ' CB ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -114.54 113.47 43.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.594 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 3.2 mmpt? -104.67 117.58 34.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.414 ' OG ' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER 65.35 129.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.869 ' HE2' ' HB1' ' A' ' 88' ' ' ALA . 4.5 ttt -172.64 103.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.423 ' O ' HG11 ' A' ' 87' ' ' VAL . 1.8 mpt_? -147.19 159.13 43.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.492 ' HA ' HG11 ' A' ' 87' ' ' VAL . 59.1 m -93.27 148.08 22.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.649 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -42.09 -53.12 4.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.038 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -168.78 34.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.94 33.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -140.48 40.7 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 85' ' ' LYS . 7.3 tt -127.33 156.66 41.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.95 97.09 5.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.424 ' HB2' HD21 ' A' ' 83' ' ' LEU . 0.0 OUTLIER 177.94 -54.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.0 90.81 1.64 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.715 HG22 ' HA2' ' A' ' 59' ' ' GLY . 1.9 t -67.45 -61.22 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.869 ' HB1' ' HE2' ' A' ' 76' ' ' MET . . . -65.21 -32.1 73.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.837 ' HG3' HD21 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -64.75 -47.78 76.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.435 ' NE2' ' HB1' ' A' ' 58' ' ' ALA . 3.8 mm-40 -60.46 -48.65 80.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.714 HG21 ' C ' ' A' ' 60' ' ' CYS . 78.0 t -64.79 -55.22 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.733 HD23 ' CG ' ' A' ' 127' ' ' PHE . 12.2 tp -47.48 -41.99 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -49.03 71.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.594 ' CG ' HG21 ' A' ' 3' ' ' ILE . 3.0 t-160 -67.46 -40.3 85.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.576 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 mt -57.19 -47.77 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.661 HD12 ' CE1' ' A' ' 127' ' ' PHE . 67.4 mt -67.64 -36.12 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -45.23 80.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.29 -47.08 82.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 104' ' ' TYR . . . -69.81 -33.58 72.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.94 -33.7 74.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.04 -50.85 25.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -37.5 85.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.86 67.23 1.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 14.3 m-85 -79.47 -176.79 5.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 0.795 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -114.16 -31.0 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.98 156.59 19.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.65 118.16 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.538 ' OG ' ' CD2' ' A' ' 135' ' ' PHE . 9.5 m -100.82 169.28 9.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.779 HD11 HG22 ' A' ' 111' ' ' THR . 0.4 OUTLIER -164.35 169.89 16.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 110' ' ' GLU . 4.2 pt-20 -100.68 102.91 14.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.779 HG22 HD11 ' A' ' 109' ' ' LEU . 68.1 p -102.08 -133.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.847 ' O ' HG22 ' A' ' 145' ' ' VAL . . . 135.01 -170.04 23.03 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.464 1.103 . . . . 0.0 110.96 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.1 t -114.91 51.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.976 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.563 ' HB2' ' CD2' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -98.13 172.76 7.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.506 ' O ' ' CD ' ' A' ' 119' ' ' PRO . . . -75.78 -39.51 56.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.8 t -77.85 -16.81 58.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 114' ' ' MET . 6.2 m-85 -99.68 -39.26 8.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.509 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.3 OUTLIER -37.49 -57.39 1.48 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -74.97 -27.84 9.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.548 1.815 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 117' ' ' PHE . . . -56.07 -51.64 67.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 122' ' ' LYS . 14.0 ptt180 -59.7 -32.48 70.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.451 ' N ' ' HG2' ' A' ' 121' ' ' ARG . 0.3 OUTLIER -67.14 -28.39 68.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.837 HD21 ' HG3' ' A' ' 89' ' ' LYS . 0.5 OUTLIER -73.16 -42.66 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.567 ' HE2' HD13 ' A' ' 92' ' ' LEU . 7.5 m-85 -63.18 -51.41 66.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.491 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 28.5 mt-10 -50.5 -38.98 47.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.4 t -62.02 -13.22 23.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.039 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.733 ' CG ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -98.36 -17.65 18.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 127.4 -22.82 5.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.684 ' HE1' HD21 ' A' ' 92' ' ' LEU . 12.6 m-85 -36.13 152.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -132.1 162.92 29.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.402 ' O ' ' SG ' ' A' ' 132' ' ' CYS . 0.6 OUTLIER -88.15 145.26 26.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 131' ' ' TYR . 0.9 OUTLIER 177.85 175.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 108.256 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -41.78 151.33 0.32 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.569 ' HG3' ' CE1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -75.0 -166.0 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.472 1.775 . . . . 0.0 110.95 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 134' ' ' PRO . 35.2 m-85 -169.5 -39.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.472 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . . . -38.47 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -173.31 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -68.87 126.78 30.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -103.91 -149.55 20.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.5 161.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.76 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 179.37 158.63 0.72 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -16.35 20.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -152.65 78.78 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.18 133.18 3.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.847 HG22 ' O ' ' A' ' 112' ' ' GLY . 12.5 m -107.06 169.98 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 134' ' ' PRO . 13.5 m-85 -140.12 131.83 27.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 111.073 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.767 ' HB3' HG21 ' A' ' 111' ' ' THR . 1.3 ttm -123.54 148.06 46.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.46 156.99 47.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . 7.9 tmtm? -116.56 137.7 51.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.25 124.39 51.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.611 ' HB2' HE22 ' A' ' 90' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.51 0.195 . . . . 0.0 111.017 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.761 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.1 t60 -164.48 109.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.761 HD12 ' C ' ' A' ' 2' ' ' HIS . 1.6 mp -118.36 136.99 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -127.17 176.52 7.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.7 mt -110.78 110.81 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -109.7 136.44 49.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -121.72 103.33 8.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 43.02 75.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -169.01 143.65 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.45 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.75 114.68 3.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -66.88 -53.99 26.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.5 -32.22 73.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.0 t -73.74 -48.97 37.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 t -67.14 -39.27 82.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -60.03 -44.99 94.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.028 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.749 HD12 ' CG ' ' A' ' 20' ' ' HIS . 1.3 tp -62.96 -44.25 96.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 t -66.32 -23.39 31.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -83.63 -66.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 2.9 pt-20 -177.91 105.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.749 ' CG ' HD12 ' A' ' 16' ' ' LEU . 1.4 t60 -92.49 -57.28 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.576 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 mp -77.0 -59.91 2.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 47.28 53.36 10.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.58 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.3 p -54.79 159.9 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -81.24 157.69 25.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.9 p -106.66 140.75 39.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.92 6.61 16.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ttt -160.31 117.29 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.2 p -144.94 95.57 5.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.07 152.82 40.91 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.494 1.786 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 29' ' ' PRO . 18.3 Cg_endo -75.03 119.04 5.47 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -173.21 -67.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 p -156.39 86.96 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 tt -107.04 42.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -162.58 70.2 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.621 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.88 121.88 3.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -140.78 -62.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.18 56.27 0.1 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 mp -57.55 -54.22 49.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.777 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -84.9 54.21 3.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -130.53 -70.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.67 HD23 ' CE2' ' A' ' 48' ' ' PHE . 3.6 mp -66.29 -36.57 83.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -85.75 62.7 7.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.91 -174.45 14.07 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 176.37 10.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 39.09 46.61 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.251 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.637 HG21 ' O ' ' A' ' 41' ' ' LEU . 5.9 mm -130.62 139.2 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.576 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 45.4 m -137.19 131.21 32.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.67 ' CE2' HD23 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.03 124.2 49.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.606 ' CH2' HD22 ' A' ' 63' ' ' LEU . 8.8 m-90 -98.45 130.18 45.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.011 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.424 ' O ' HG23 ' A' ' 3' ' ' ILE . 17.3 m -100.62 157.94 16.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.591 ' HB2' HG22 ' A' ' 91' ' ' VAL . . . -132.51 116.32 16.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.413 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 11.7 m95 -115.6 118.73 33.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 4.6 tt0 -111.34 76.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.74 -131.42 9.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.97 -10.41 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.255 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.88 161.59 19.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.78 HD22 ' C ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -67.53 144.4 55.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.605 ' N ' HD22 ' A' ' 57' ' ' LEU . . . -103.33 -32.33 9.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 163.86 -169.73 38.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.23 -175.11 4.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.39 151.15 11.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.86 153.7 26.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.606 HD22 ' CH2' ' A' ' 49' ' ' TRP . 3.2 tt -155.98 126.68 6.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.87 136.89 51.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.51 144.48 54.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mp -126.27 -67.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.14 -176.53 3.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 t -65.8 -29.44 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -140.21 35.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -133.99 133.39 41.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.598 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.91 155.36 21.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.28 141.03 35.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.722 HG12 HG21 ' A' ' 95' ' ' ILE . 2.9 mp -118.47 144.4 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -150.24 65.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER 165.72 136.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.489 ' CE ' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER 174.97 130.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.459 ' C ' ' HG1' ' A' ' 78' ' ' THR . 7.3 mmt180 -115.74 157.05 24.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.459 ' HG1' ' C ' ' A' ' 77' ' ' ARG . 93.5 m -153.77 159.79 42.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.395 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 78' ' ' THR . 0.6 OUTLIER 80.31 -68.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.026 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 56.69 -155.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.41 -65.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 172.48 72.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.631 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 83' ' ' LEU . 3.5 pp -130.59 150.43 51.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.28 132.87 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 tttt 178.26 -65.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.94 58.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 49.1 t -48.29 -60.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.478 ' HB1' ' HE2' ' A' ' 76' ' ' MET . . . -54.98 -40.97 70.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.752 ' HG3' HD21 ' A' ' 123' ' ' LEU . 5.4 mttt -59.33 -44.55 92.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.611 HE22 ' HB2' ' A' ' 1' ' ' MET . 1.5 mm-40 -60.72 -50.57 72.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.591 HG22 ' HB2' ' A' ' 51' ' ' ALA . 91.2 t -64.69 -54.95 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.038 HD23 ' CD1' ' A' ' 127' ' ' PHE . 13.2 tp -47.03 -33.03 4.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -43.27 87.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.725 ' CG ' HG21 ' A' ' 3' ' ' ILE . 7.5 t60 -69.96 -33.14 71.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.722 HG21 HG12 ' A' ' 73' ' ' ILE . 27.6 mm -60.85 -50.87 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.593 HD12 ' CE2' ' A' ' 127' ' ' PHE . 65.9 mt -67.92 -43.16 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.78 -48.09 83.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -54.65 -44.92 73.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 104' ' ' TYR . . . -70.78 -30.86 67.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -46.12 88.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -50.77 72.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -57.61 -42.36 83.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.84 49.68 0.72 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.509 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 3.3 m-85 -89.48 163.06 15.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -136.13 11.31 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.59 150.65 19.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.55 129.82 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.528 ' O ' HD12 ' A' ' 73' ' ' ILE . 15.8 m -100.94 167.23 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.976 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.631 HD12 ' CD2' ' A' ' 124' ' ' TYR . 2.2 pt? -158.15 162.76 37.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.456 ' HA ' ' HB2' ' A' ' 136' ' ' ALA . 11.9 pt-20 -105.05 109.64 21.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.6 p -126.27 -167.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.413 ' O ' HG22 ' A' ' 145' ' ' VAL . . . 166.05 -94.23 0.11 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.405 ' O ' ' OG ' ' A' ' 113' ' ' SER . 21.7 p -179.19 80.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.574 ' HA ' ' CE ' ' A' ' 114' ' ' MET . 0.2 OUTLIER -136.08 173.9 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.14 -36.2 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.34 -25.85 46.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.487 ' HA ' ' HB3' ' A' ' 120' ' ' ALA . 6.1 m-30 -94.96 -32.46 13.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 114' ' ' MET . 0.8 OUTLIER -37.64 -53.84 2.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -75.03 -37.48 1.99 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.81 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 117' ' ' PHE . . . -53.9 -43.52 69.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -64.72 -32.99 74.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -35.62 65.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.752 HD21 ' HG3' ' A' ' 89' ' ' LYS . 2.3 tm? -63.21 -45.52 91.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.631 ' CD2' HD12 ' A' ' 109' ' ' LEU . 34.3 m-85 -63.6 -50.92 67.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.516 ' CG ' ' HE1' ' A' ' 147' ' ' MET . 1.4 mm-40 -58.68 -21.64 55.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.0 t -85.06 -12.34 53.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 1.038 ' CD1' HD23 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -98.5 -17.07 18.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 115.34 55.11 0.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 9.7 m-85 -114.33 131.63 56.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 0.755 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -116.81 150.46 38.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -58.78 148.77 28.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.15 -168.23 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.73 140.73 97.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.495 ' HA ' ' CD1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -75.03 159.34 41.37 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.488 1.783 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.491 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 8.8 t80 -161.43 -88.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 39.79 -156.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -101.76 39.1 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -154.15 -177.44 6.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -115.82 159.47 13.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.56 170.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -171.84 165.61 4.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -22.8 14.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -124.58 62.23 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.0 m -158.07 128.96 6.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.961 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 112' ' ' GLY . 2.8 m -115.69 147.34 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.495 ' CD1' ' HA ' ' A' ' 134' ' ' PRO . 16.9 m-85 -139.0 153.86 48.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.516 ' HE1' ' CG ' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -151.83 174.21 13.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.3 t -139.1 151.25 46.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -98.72 124.23 43.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -108.0 114.44 28.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.428 HD13 ' O ' ' A' ' 104' ' ' TYR . 2.0 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.504 0.192 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -165.08 108.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.569 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.655 HG21 ' CG ' ' A' ' 94' ' ' HIS . 18.4 mm -119.33 137.13 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -144.97 176.31 9.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.566 HG12 ' CD1' ' A' ' 49' ' ' TRP . 16.3 mt -108.35 133.53 53.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -115.9 126.68 54.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -123.3 105.3 9.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp 65.58 -77.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' ASP . 1.0 OUTLIER -39.69 137.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.13 90.67 0.97 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.147 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -56.0 26.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 0.0 110.32 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -60.98 -31.16 70.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.568 HG21 ' CH2' ' A' ' 52' ' ' TRP . 25.1 t -73.38 -52.93 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -63.15 -42.0 94.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.4 m -57.14 -39.65 75.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.952 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.78 -36.15 78.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.47 -24.02 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -87.91 0.02 56.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.515 ' CG ' ' NH1' ' A' ' 77' ' ' ARG . 1.9 mt-10 68.47 85.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -93.28 -45.28 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.536 HD11 ' O ' ' A' ' 79' ' ' SER . 1.0 OUTLIER -56.39 -58.51 7.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -89.19 158.05 18.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.623 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.55 154.39 21.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.77 156.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -167.43 145.92 4.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.43 171.52 10.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.44 141.62 39.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -67.06 133.78 93.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.98 167.65 26.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -164.92 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.13 91.46 8.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 m 58.2 174.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.536 ' O ' HG22 ' A' ' 33' ' ' ILE . 8.7 mt 68.55 9.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 179.08 101.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.623 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.03 -148.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.8 tp -147.64 -117.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.9 46.42 0.26 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 mp -59.83 -44.22 94.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -80.38 2.27 25.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -77.09 -76.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.99 -47.44 24.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.74 65.38 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.62 -174.18 26.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.29 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.78 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -41.06 -50.09 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.4 mt -100.82 136.4 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.601 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 86.1 m -97.36 140.08 32.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.389 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.491 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -117.6 130.53 56.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.681 ' CZ3' ' CD2' ' A' ' 63' ' ' LEU . 10.3 m-90 -111.63 133.98 53.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 107.994 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.4 m -136.28 128.26 29.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.642 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -86.51 136.06 33.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.568 ' CH2' HG21 ' A' ' 13' ' ' VAL . 5.5 m95 -120.8 122.19 39.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 107.99 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -131.33 80.69 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.52 -130.02 6.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.0 -12.28 16.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -124.21 160.21 28.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.976 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.96 138.32 57.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.761 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -87.83 -34.15 18.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.595 ' N ' HD22 ' A' ' 57' ' ' LEU . . . -171.24 -179.62 42.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.147 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.544 ' O ' HG11 ' A' ' 91' ' ' VAL . 63.4 m -143.39 174.8 10.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 166.47 154.91 8.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -144.9 172.64 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.681 ' CD2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 pp -161.9 134.24 5.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.69 135.7 49.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -48.41 147.81 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.456 ' CD1' ' HG3' ' A' ' 72' ' ' GLU . 7.0 mt -138.6 -86.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -109.49 -172.83 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.3 p -73.45 -18.58 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -146.45 21.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 3.5 t60 -124.4 141.61 51.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.619 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.78 164.87 26.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 11.0 mt-10 -141.71 142.0 33.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 110.303 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -107.87 123.8 63.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.407 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -121.2 38.12 4.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.3 t -168.36 113.53 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.502 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -159.58 100.4 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.515 ' NH1' ' CG ' ' A' ' 19' ' ' GLU . 3.9 tpt180 -120.35 117.5 27.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 79' ' ' SER . 2.4 m -99.51 177.6 5.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.536 ' O ' HD11 ' A' ' 21' ' ' LEU . 5.9 t 61.55 86.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.01 -72.69 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 p -155.15 36.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.2 m80 71.73 102.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.589 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 tt -141.22 153.63 45.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -118.8 96.95 5.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -179.85 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 145.86 84.39 0.06 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 58' ' ' ALA . 6.6 t -60.57 -60.93 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 0.731 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.502 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -69.05 -31.88 70.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.54 -43.95 88.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -56.93 -45.76 82.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.544 HG11 ' O ' ' A' ' 60' ' ' CYS . 52.2 t -75.07 -43.38 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.627 HD23 ' CE2' ' A' ' 127' ' ' PHE . 21.8 tp -58.29 -55.21 37.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -39.35 75.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.655 ' CG ' HG21 ' A' ' 3' ' ' ILE . 2.1 t60 -68.59 -46.55 69.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.547 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.2 mt -54.48 -48.58 69.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.664 ' CD1' ' CE1' ' A' ' 127' ' ' PHE . 96.3 mt -57.99 -44.12 86.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -40.69 96.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.443 ' HG2' ' CE1' ' A' ' 94' ' ' HIS . 15.5 mm-40 -55.69 -49.11 73.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.854 ' HB1' ' CG ' ' A' ' 104' ' ' TYR . . . -66.72 -35.74 80.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -39.14 86.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -40.9 69.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -39.68 29.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.63 53.16 0.68 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.854 ' CG ' ' HB1' ' A' ' 99' ' ' ALA . 4.9 m-85 -74.48 163.32 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.6 7.65 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.06 154.0 19.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.612 HD12 HD21 ' A' ' 151' ' ' LEU . 0.6 OUTLIER -156.42 122.42 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.768 ' O ' HD12 ' A' ' 73' ' ' ILE . 20.0 m -108.88 156.35 19.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.626 HD22 ' CD2' ' A' ' 124' ' ' TYR . 0.7 OUTLIER -136.91 172.39 13.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -104.56 106.92 17.6 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 145' ' ' VAL . 9.8 t -154.6 124.93 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -126.31 28.14 4.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.408 ' HB2' HG13 ' A' ' 145' ' ' VAL . 1.6 m 59.06 51.57 7.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.535 ' HE3' ' HA ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -93.93 148.02 22.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.948 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.63 -35.37 60.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 20.1 m -70.36 -46.24 64.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -107.19 41.7 1.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.481 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 1.6 mt-10 -69.03 -56.06 9.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -75.01 -18.22 18.88 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.21 68.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.542 ' HA ' ' CD2' ' A' ' 124' ' ' TYR . 6.5 ptt-85 -66.12 -32.12 73.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 2.1 mtpt -65.36 -37.26 86.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.97 -30.65 71.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.626 ' CD2' HD22 ' A' ' 109' ' ' LEU . 12.8 m-30 -73.92 -50.04 21.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.425 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 12.5 mt-10 -51.31 -39.16 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -11.52 42.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.664 ' CE1' ' CD1' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -96.45 -17.31 20.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 120.49 -7.29 11.39 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.577 ' CE1' HD21 ' A' ' 109' ' ' LEU . 9.8 m-85 -53.8 131.21 39.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.93 151.4 41.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -61.2 139.73 58.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.45 -174.2 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.93 151.91 0.49 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' A' ' 146' ' ' PHE . 18.2 Cg_endo -74.97 120.36 6.04 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 33.6 m-85 -114.54 -172.17 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 135' ' ' PHE . . . 67.69 172.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -51.29 -31.85 22.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -66.36 154.03 41.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -151.35 -150.11 5.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -42.21 163.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.51 172.3 0.44 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.11 7.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -157.49 82.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.5 p -140.79 139.12 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.585 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 3.1 m -111.37 175.74 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 145' ' ' VAL . 90.4 m-85 -163.71 150.65 12.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.425 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.2 OUTLIER -154.74 160.56 41.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 t -133.08 157.21 45.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 129' ' ' PHE . 3.5 tmtm? -114.91 141.0 48.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 149' ' ' LYS . 5.4 ttpp -113.33 122.01 46.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.612 HD21 HD12 ' A' ' 107' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mtm . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.524 0.202 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -50.25 108.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.624 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.647 HG23 ' CD2' ' A' ' 94' ' ' HIS . 12.7 mm -118.81 124.83 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 3' ' ' ILE . 17.1 mttt -160.09 177.91 10.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.799 HG23 ' O ' ' A' ' 48' ' ' PHE . 3.3 mt -100.81 140.71 19.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.567 ' OD2' HG11 ' A' ' 13' ' ' VAL . 12.3 t70 -126.94 130.88 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -120.88 101.03 7.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp 40.31 81.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 m -161.67 98.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.46 117.14 3.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -49.4 -40.82 37.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 0.728 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.785 ' O ' HD13 ' A' ' 16' ' ' LEU . 8.1 mm100 -59.22 -34.29 72.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.567 HG11 ' OD2' ' A' ' 6' ' ' ASP . 96.9 t -72.0 -43.24 67.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.863 HG13 ' CE1' ' A' ' 34' ' ' HIS . 32.9 t -68.38 -49.77 63.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -33.3 32.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.785 HD13 ' O ' ' A' ' 12' ' ' GLN . 4.5 mp -65.49 -39.55 92.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.6 t -74.57 -39.25 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.425 HD22 HG12 ' A' ' 14' ' ' VAL . 8.9 m-80 -65.12 -15.25 62.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 47.79 95.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -91.44 -53.22 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.579 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mp -57.97 -58.61 7.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.44 113.86 25.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.7 t 67.0 131.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.047 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.09 95.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 t -117.2 9.01 13.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.423 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.76 158.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.0 166.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.37 145.03 1.51 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.71 26.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.98 33.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.466 1.772 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -95.87 43.5 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.1 p -118.63 54.61 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ALA . 43.7 mm 61.14 151.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.863 ' CE1' HG13 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -41.1 97.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -130.69 81.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -137.78 -68.14 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.77 60.04 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -40.3 -72.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 46.45 63.04 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -177.35 -69.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.93 54.09 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.18 83.3 2.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.67 156.26 24.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -13.23 21.43 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.454 1.765 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.04 50.46 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.487 HD11 ' HD3' ' A' ' 64' ' ' LYS . 19.9 mm -115.47 136.41 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.6 ' CG2' ' CH2' ' A' ' 49' ' ' TRP . 52.8 m -121.74 137.32 54.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -121.48 123.61 42.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.979 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.6 ' CH2' ' CG2' ' A' ' 47' ' ' THR . 10.4 m-90 -98.28 147.49 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 107.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 m -140.65 135.76 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.872 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -106.03 131.87 52.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -115.55 128.31 55.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 107.985 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.664 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 6.4 tt0 -135.54 76.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.84 -132.18 10.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.59 1.181 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -108.98 7.37 25.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.575 ' OE2' ' CE1' ' A' ' 82' ' ' HIS . 4.7 pt-20 -125.82 164.05 21.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.55 HD11 HG22 ' A' ' 13' ' ' VAL . 3.4 mm? -67.79 119.96 13.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.872 ' HB3' ' O ' ' A' ' 51' ' ' ALA . . . -73.57 -42.17 61.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.24 -174.06 46.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.8 p -150.85 161.71 42.16 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.463 ' HA3' ' CG1' ' A' ' 91' ' ' VAL . . . -163.07 176.4 39.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -158.89 147.96 18.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -155.94 115.12 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' HD3' HD11 ' A' ' 46' ' ' ILE . 8.3 ttpt -104.77 136.03 45.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -59.58 142.33 52.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.42 -58.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -118.88 177.65 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -53.73 -32.89 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.441 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -142.09 44.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.434 ' CE1' ' OG ' ' A' ' 108' ' ' SER . 48.5 t60 -138.26 139.96 39.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.98 150.91 20.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -133.43 135.56 44.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 0.783 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.486 ' CG1' HG21 ' A' ' 95' ' ' ILE . 4.1 mp -93.15 146.93 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.73 43.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.2 t -164.79 120.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -155.66 64.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.44 ' NH1' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -122.16 134.94 54.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 1.105 HG23 HG11 ' A' ' 87' ' ' VAL . 96.5 m -87.45 149.29 24.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.1 t -53.54 -58.36 7.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -154.44 -167.87 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.11 63.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.575 ' CE1' ' OE2' ' A' ' 56' ' ' GLU . 25.0 m-70 -93.33 -173.78 3.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.596 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 83' ' ' LEU . 2.5 pt? -62.06 159.32 14.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 153.46 19.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.31 59.16 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.17 -49.2 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.152 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 1.105 HG11 HG23 ' A' ' 78' ' ' THR . 23.7 t -69.8 -61.05 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.469 ' HB3' ' CD1' ' A' ' 123' ' ' LEU . . . -70.61 -33.54 71.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -45.22 92.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.505 ' HB3' HD11 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -56.87 -50.51 72.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG1' ' HA3' ' A' ' 61' ' ' GLY . 67.7 t -66.37 -41.18 88.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.13 -50.91 71.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -32.77 69.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.647 ' CD2' HG23 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -70.02 -54.77 11.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.592 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.486 HG21 ' CG1' ' A' ' 73' ' ' ILE . 32.5 mt -53.34 -46.52 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.557 HD13 ' CE1' ' A' ' 127' ' ' PHE . 46.2 mt -57.97 -52.85 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -41.41 79.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.549 ' HG3' ' CZ2' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -55.46 -44.96 76.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.746 ' HB3' HD11 ' A' ' 107' ' ' LEU . . . -71.34 -30.86 66.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.76 ' HG2' HD22 ' A' ' 151' ' ' LEU . 1.1 mt-10 -71.49 -47.44 55.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -31.17 71.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.403 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -81.52 -42.69 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.17 57.01 1.52 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.459 ' HB2' ' CD1' ' A' ' 151' ' ' LEU . 7.0 m-30 -79.15 178.48 8.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -97.83 -38.31 9.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -163.03 156.03 19.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.746 HD11 ' HB3' ' A' ' 99' ' ' ALA . 1.2 mt -114.82 123.06 48.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.434 ' OG ' ' CE1' ' A' ' 70' ' ' HIS . 32.1 m -100.96 164.88 11.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.871 HD22 ' CZ ' ' A' ' 124' ' ' TYR . 2.4 pp -159.59 147.63 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -104.67 103.06 12.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 145' ' ' VAL . 6.8 t -112.33 -45.69 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 41.77 28.57 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.427 ' HA ' ' NH1' ' A' ' 121' ' ' ARG . 1.2 p 52.55 34.68 16.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 0.74 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.518 ' HE3' ' HA ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -76.34 154.03 35.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.71 -30.31 71.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -77.07 -24.63 51.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.057 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -120.09 25.81 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.7 mt-10 -65.99 -50.7 50.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -75.03 -29.84 7.75 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' A' ' 124' ' ' TYR . . . -58.35 -47.41 83.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.504 ' HD2' ' CZ ' ' A' ' 131' ' ' TYR . 21.7 ttp-105 -63.0 -38.53 91.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -72.89 -32.75 65.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -77.39 -28.74 52.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.871 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 3.8 m-85 -73.81 -52.57 12.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.423 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.0 OUTLIER -57.03 -29.51 63.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.35 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.1 t -70.09 -14.87 62.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 96' ' ' ILE . 13.9 t80 -99.25 -17.27 18.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 133.99 -34.33 2.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.761 ' CE1' HD23 ' A' ' 109' ' ' LEU . 4.3 m-85 -36.95 141.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -131.2 163.78 26.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.504 ' CZ ' ' HD2' ' A' ' 121' ' ' ARG . 6.0 m-85 -70.32 143.75 51.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.2 m -147.76 -178.38 6.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.452 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 4.0 mt-10 -57.09 168.17 0.95 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.69 30.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.461 ' HB3' ' CE2' ' A' ' 146' ' ' PHE . 32.8 t80 -173.71 -44.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -41.34 -68.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.28 26.28 2.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 50.44 -174.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 40.42 -154.4 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.12 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.1 173.49 9.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -133.22 116.14 14.19 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.08 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -139.48 69.13 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.57 138.97 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.997 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 111' ' ' THR . 29.6 m -116.95 143.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 135' ' ' PHE . 35.9 t80 -98.42 166.91 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.454 ' HB3' HD21 ' A' ' 109' ' ' LEU . 1.9 ttt -147.75 135.2 20.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.3 t -139.05 157.14 46.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.608 ' CB ' ' CZ ' ' A' ' 129' ' ' PHE . 6.2 tmtm? -135.87 152.26 50.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -114.02 115.37 27.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.76 HD22 ' HG2' ' A' ' 100' ' ' GLU . 27.5 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.531 0.205 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.27 109.08 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.579 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.464 ' CG2' ' CD2' ' A' ' 94' ' ' HIS . 2.9 mt -104.1 131.72 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.64 176.15 10.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 48' ' ' PHE . 5.3 mp -74.47 139.35 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -110.79 127.22 55.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.88 114.97 19.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 68.4 -78.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 m -38.56 151.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.424 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.439 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 94.83 84.15 1.64 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -54.95 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -34.6 68.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.542 HG21 ' CH2' ' A' ' 52' ' ' TRP . 42.6 t -74.78 -42.23 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 10' ' ' GLY . 7.8 t -67.22 -52.35 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.47 -35.03 38.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.684 HD22 ' SG ' ' A' ' 60' ' ' CYS . 5.2 tt -64.84 -36.99 86.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.627 HG13 HD12 ' A' ' 26' ' ' LEU . 75.9 t -77.0 -39.92 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -59.14 -69.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.95 69.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -87.1 -54.02 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.585 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.861 HD21 ' HB2' ' A' ' 80' ' ' ALA . 88.8 mt -76.33 -55.54 5.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 179.97 -177.42 0.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.2 m 63.37 120.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.0 ttm -73.4 -59.89 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -91.95 107.97 19.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 110.452 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.627 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -53.5 110.58 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.481 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER 80.16 150.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -155.03 97.22 2.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.59 8.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 167.26 27.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 75.13 73.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 p -72.21 59.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -93.3 1.15 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.403 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 51.4 t-80 -158.69 43.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . 66.38 130.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.6 tp -43.48 -59.48 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.44 58.93 0.22 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 mp -67.83 -50.12 58.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.45 -4.55 37.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.77 -74.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -73.93 -33.46 63.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -90.14 57.79 3.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.12 153.29 20.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 53.44 3.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -178.52 51.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.467 HD11 ' HD2' ' A' ' 64' ' ' LYS . 16.1 mm -138.44 131.49 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.537 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 16.0 m -107.27 127.87 53.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -109.29 117.61 34.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.776 ' CH2' HD22 ' A' ' 63' ' ' LEU . 10.5 m-90 -89.89 141.42 28.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -129.28 156.35 44.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.57 121.28 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 57' ' ' LEU . 5.5 m95 -112.34 126.59 55.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.787 ' HB2' ' HB2' ' A' ' 58' ' ' ALA . 1.1 tt0 -124.15 77.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.55 -133.42 10.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.29 -15.18 23.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.36 148.37 43.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -54.85 150.08 10.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.787 ' HB2' ' HB2' ' A' ' 53' ' ' GLU . . . -99.9 -26.39 14.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.39 -170.28 43.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.684 ' SG ' HD22 ' A' ' 16' ' ' LEU . 6.3 p -146.96 162.08 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' TRP . . . -163.65 161.65 34.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.435 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . . . -132.76 159.47 39.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.776 HD22 ' CH2' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -160.31 123.36 3.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' HD2' HD11 ' A' ' 46' ' ' ILE . 9.1 tttp -117.54 133.31 56.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -64.39 139.3 58.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.37 -84.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' OD2' ' N ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -93.36 179.79 5.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.6 p -61.94 -27.53 68.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.55 43.81 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -150.89 147.98 27.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.619 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -156.75 167.51 33.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' O ' ' CE ' ' A' ' 74' ' ' LYS . 15.0 tt0 -142.18 138.98 31.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.753 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.716 HD11 HD22 ' A' ' 107' ' ' LEU . 3.7 mp -90.63 145.01 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.495 ' CE ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -118.84 -91.71 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -51.96 126.2 17.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.483 ' CG ' ' O ' ' A' ' 76' ' ' MET . 0.7 OUTLIER 173.81 75.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -152.61 161.13 43.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -161.42 142.95 11.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.1 69.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.861 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -134.2 -72.35 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.71 -41.42 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.028 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 66.77 93.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.013 HD13 ' N ' ' A' ' 84' ' ' ARG . 3.1 tm? -76.78 154.17 34.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 1.013 ' N ' HD13 ' A' ' 83' ' ' LEU . 2.5 ptt180 -94.58 96.92 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -174.79 -63.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 156.95 66.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 58' ' ' ALA . 4.0 t -61.6 -61.03 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.24 -31.89 72.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -66.52 -41.07 89.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 4.6 mm-40 -61.66 -54.59 40.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.5 t -57.72 -52.33 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.786 HD22 ' CD2' ' A' ' 127' ' ' PHE . 5.6 tt -50.24 -46.42 54.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -47.3 81.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.464 ' CD2' ' CG2' ' A' ' 3' ' ' ILE . 5.1 t60 -61.83 -41.68 98.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.575 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.6 mm -53.52 -50.12 51.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.22 -49.26 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -37.47 71.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.51 ' HG3' ' CE2' ' A' ' 49' ' ' TRP . 3.1 tm-20 -62.32 -50.86 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.591 ' HB3' HD11 ' A' ' 107' ' ' LEU . . . -66.65 -30.76 71.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.29 -37.11 80.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -74.11 -24.42 59.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -90.04 -28.42 19.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.18 57.87 4.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -83.27 174.0 11.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -89.72 -37.33 14.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -162.88 160.47 25.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 73' ' ' ILE . 6.7 mt -114.36 118.14 33.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 82.9 p -103.19 158.78 16.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.475 ' C ' HD12 ' A' ' 109' ' ' LEU . 4.3 pp -175.61 173.03 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.19 116.97 33.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 111' ' ' THR . 7.8 t -160.59 112.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.411 ' C ' HG22 ' A' ' 145' ' ' VAL . . . -98.91 -122.51 4.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.1 m -143.52 16.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.789 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -52.85 148.98 6.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.45 -34.17 56.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.87 -38.8 57.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -107.38 37.77 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.6 mt-10 -73.21 -52.52 5.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.97 -13.64 21.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.51 69.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 20.1 ptt-85 -71.56 -36.54 70.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 119' ' ' PRO . 0.5 OUTLIER -67.75 -35.3 78.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.334 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 119' ' ' PRO . 13.1 tp -61.62 -45.06 95.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.523 ' HB3' ' CG ' ' A' ' 129' ' ' PHE . 14.3 m-85 -62.23 -44.14 97.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.442 ' CD ' ' HE1' ' A' ' 147' ' ' MET . 1.7 mm-40 -59.84 -33.18 71.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.0 t -82.17 -23.99 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.786 ' CD2' HD22 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -91.85 -16.84 26.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 124' ' ' TYR . . . 106.65 96.4 2.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 1.4 m-85 -151.75 160.26 43.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -106.33 156.81 18.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.451 ' OH ' HG11 ' A' ' 145' ' ' VAL . 3.6 t80 -111.69 118.64 36.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 111.045 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 45.1 m -151.9 179.75 8.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.284 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -54.62 166.82 0.67 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.553 ' HA ' ' CG ' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -75.02 138.43 22.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 136' ' ' ALA . 39.0 t80 -124.62 -44.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -39.08 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 138' ' ' TYR . 10.0 t0 -157.56 -55.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 137' ' ' ASP . 8.0 m-85 -37.22 156.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.93 -151.4 5.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 111.066 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.19 161.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.297 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.42 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.4 OUTLIER 169.41 174.06 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 142' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.2 Cg_endo -75.05 -27.93 9.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -159.94 75.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.4 t -136.76 131.44 33.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.451 HG11 ' OH ' ' A' ' 131' ' ' TYR . 32.7 m -132.4 -177.34 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.553 ' CG ' ' HA ' ' A' ' 134' ' ' PRO . 27.4 t80 -143.84 167.1 23.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.515 ' N ' ' CG ' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -152.33 141.84 21.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.015 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.539 ' C ' ' CD2' ' A' ' 129' ' ' PHE . 1.7 t -137.96 152.32 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -105.96 130.1 53.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.1 111.89 24.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mmt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.503 0.192 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -165.18 107.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.607 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.786 HG21 ' CG ' ' A' ' 94' ' ' HIS . 11.7 mm -120.04 137.5 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -149.37 175.56 11.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 48' ' ' PHE . 32.1 mt -109.34 140.63 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -119.0 121.99 41.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -124.73 101.89 7.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 7' ' ' ASP . 0.6 OUTLIER 37.46 88.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -176.47 -37.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.2 70.43 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 15' ' ' SER . 10.9 ptt180 -48.69 -33.6 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -68.98 -36.12 77.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.504 HG21 ' CH2' ' A' ' 52' ' ' TRP . 8.4 t -75.37 -51.38 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.7 t -64.4 -30.82 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -50.85 -33.45 23.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.982 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.95 -33.77 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.465 HG11 ' CE2' ' A' ' 48' ' ' PHE . 51.4 t -81.66 -31.22 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -77.99 -0.67 28.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 75.6 69.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -92.35 -42.58 9.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.661 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -75.9 -61.0 2.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.403 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 169.48 172.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.612 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.8 p -176.92 174.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.9 ttm -44.65 130.94 6.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.2 t -77.36 123.06 26.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.08 144.78 39.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.5 -56.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.71 153.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 172.31 16.59 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 105.61 2.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.7 81.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.3 m 66.03 50.14 1.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.957 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -55.81 113.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.645 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 2.4 t60 61.65 160.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . 80.28 55.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.3 tp -86.71 -63.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.19 63.82 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -40.29 -85.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.747 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 50.2 44.7 26.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -144.84 -52.07 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.415 HD23 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -89.94 42.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -158.54 28.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.1 -170.55 12.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.84 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.67 -31.65 48.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 46' ' ' ILE . 10.9 mm -98.98 158.79 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.595 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 18.3 m -144.37 125.91 14.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.382 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 5' ' ' ILE . 3.6 m-85 -99.17 121.56 41.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.595 ' CZ3' ' HB ' ' A' ' 47' ' ' THR . 12.0 m-90 -100.3 129.94 46.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 108.015 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.7 p -115.83 163.86 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.571 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -139.93 134.81 32.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.54 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 35.7 m95 -116.79 123.05 46.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 107.973 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -131.18 76.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.53 -127.73 6.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.27 -4.8 15.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -127.2 158.01 38.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.896 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.19 126.68 28.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.479 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -71.18 -40.33 71.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.537 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 169.1 -158.29 30.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 t -157.85 177.03 11.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -159.71 -175.06 30.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 75' ' ' SER . . . -158.82 124.9 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -138.8 119.33 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 7.4 ttpp -105.33 146.68 29.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.64 140.07 58.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -120.68 -68.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -126.36 -174.97 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -70.85 -29.85 66.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 ptt-85 -134.2 32.88 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -142.76 152.89 42.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.601 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -153.85 176.2 31.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.538 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -151.09 151.16 31.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 0.784 . . . . 0.0 110.345 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.73 HD11 HD21 ' A' ' 107' ' ' LEU . 4.1 mp -117.83 122.55 70.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.35 58.05 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.63 ' HB2' ' HB3' ' A' ' 62' ' ' ALA . 0.4 OUTLIER 176.39 131.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.82 92.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.417 ' O ' ' HB ' ' A' ' 78' ' ' THR . 15.8 mtm180 -144.24 139.01 28.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER 179.42 -40.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.385 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.78 100.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.543 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -123.83 12.66 9.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.62 18.83 7.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -115.14 -7.12 12.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.603 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.428 HD13 HG23 ' A' ' 87' ' ' VAL . 7.5 mt -138.8 147.23 42.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' LYS . 2.4 mmt180 -113.08 96.84 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER 40.37 88.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.64 -71.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 29.9 t -48.09 -60.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.14 -43.49 61.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -56.53 -44.08 80.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -59.0 -53.4 58.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.92 -54.09 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.688 HD21 ' CE1' ' A' ' 124' ' ' TYR . 0.2 OUTLIER -47.91 -46.22 31.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -39.48 82.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.786 ' CG ' HG21 ' A' ' 3' ' ' ILE . 25.9 t60 -72.21 -33.39 67.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.607 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.459 HG21 HG12 ' A' ' 73' ' ' ILE . 19.0 mm -57.35 -48.4 82.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.463 HD12 ' CE1' ' A' ' 127' ' ' PHE . 19.9 mt -70.41 -35.25 61.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -48.95 68.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.556 ' OE1' ' CE1' ' A' ' 94' ' ' HIS . 0.3 OUTLIER -55.27 -45.15 76.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.37 -31.11 66.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -49.23 48.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -23.41 60.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.82 -42.91 15.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.59 35.65 1.54 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.568 ' O ' HD22 ' A' ' 151' ' ' LEU . 3.4 m-85 -75.78 158.34 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.731 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.63 11.35 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -163.19 160.47 24.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.73 HD21 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -155.28 152.23 28.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 m -128.47 164.35 22.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.026 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.743 HD23 ' N ' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -166.5 161.5 16.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.26 110.93 23.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.443 ' CG2' ' HB2' ' A' ' 147' ' ' MET . 14.8 t -174.56 117.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . -135.15 37.05 1.98 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.57 1.169 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 1.5 m 92.65 -4.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.0 tpt -43.03 128.4 4.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.08 -50.33 64.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.0 m -52.29 -23.85 6.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -125.27 28.56 6.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.8 tt0 -58.59 -51.25 83.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.97 -23.91 13.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.544 1.813 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.35 -49.23 70.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 7.2 ttp-105 -62.59 -41.11 98.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.47 -29.02 66.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.447 HD13 ' C ' ' A' ' 123' ' ' LEU . 2.4 tm? -76.85 -35.94 57.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.705 ' CE2' HD12 ' A' ' 109' ' ' LEU . 3.4 m-85 -65.98 -52.09 52.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.473 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.2 OUTLIER -60.72 -28.56 68.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.9 t -68.25 -14.06 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.463 ' CE1' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -98.25 -17.06 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.954 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.28 -32.53 2.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 28.3 m-85 -37.99 140.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -131.76 157.48 43.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.463 ' CE1' HG21 ' A' ' 145' ' ' VAL . 3.5 m-85 -67.35 146.94 53.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.61 178.7 9.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.585 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 1.8 mt-10 -46.1 151.01 0.97 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.419 ' HA ' ' HB2' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.95 153.46 42.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.53 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 3.8 t80 -177.34 -87.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.53 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 39.83 -99.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 135' ' ' PHE . 1.5 t70 -122.43 -48.8 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -88.73 -172.75 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -115.78 -164.85 14.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.97 166.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.412 ' CB ' ' HB2' ' A' ' 144' ' ' SER . 1.4 m-20 -174.51 161.54 2.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -33.17 4.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.546 1.814 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -131.6 67.92 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.412 ' HB2' ' CB ' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -163.13 129.04 3.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.951 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.463 HG21 ' CE1' ' A' ' 131' ' ' TYR . 2.4 m -121.05 -174.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 133' ' ' GLU . 91.9 t80 -139.81 162.31 35.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 1.4 ttt -135.53 138.18 42.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.1 t -134.35 157.27 46.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 5.6 tmtm? -116.84 125.22 51.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.16 105.9 15.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.568 HD22 ' O ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.511 0.196 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -164.75 109.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.707 HG21 ' CG ' ' A' ' 94' ' ' HIS . 25.5 mm -118.99 136.95 54.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -145.73 174.8 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.7 mt -111.19 135.68 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -126.29 127.75 46.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -124.21 117.0 23.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 71.48 -77.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -39.58 150.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.374 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.09 104.14 2.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -56.67 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.7 -32.68 72.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.598 HG21 ' CH2' ' A' ' 52' ' ' TRP . 71.8 t -70.89 -44.94 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.4 t -71.14 -47.08 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -51.58 -35.49 41.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.66 HD11 ' O ' ' A' ' 78' ' ' THR . 0.2 OUTLIER -66.53 -42.92 86.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.412 HG11 ' CZ ' ' A' ' 48' ' ' PHE . 71.9 t -66.75 -40.83 86.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -60.6 -71.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.13 101.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -56.39 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.41 -55.41 35.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.1 t60 63.33 59.48 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.618 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.9 p -47.72 145.94 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.9 mmt -57.49 156.02 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 m -40.2 -58.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 110.383 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 65.75 152.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.0 ttm -49.32 118.12 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 43.2 t -179.2 141.92 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.02 115.63 4.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.807 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 104.99 1.99 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.506 1.792 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.63 75.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.6 p 177.21 169.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 33' ' ' ILE . 5.5 tt -146.52 64.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.8 m80 64.62 102.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.581 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -173.65 129.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.481 ' HA ' HD12 ' A' ' 36' ' ' LEU . 6.8 tp -127.02 -143.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 40' ' ' LYS . . . -144.6 47.82 0.75 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.0 mm? -40.41 -34.24 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -106.19 51.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' GLY . 4.6 mttm -140.06 -69.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.67 57.88 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -176.75 80.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.25 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.92 -171.48 35.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -46.87 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.538 1.81 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -55.44 -30.77 61.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.421 HD13 ' HB2' ' A' ' 64' ' ' LYS . 13.4 mm -99.16 128.27 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.524 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 90.4 m -111.85 135.27 52.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.412 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 1.8 m-85 -113.8 119.33 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.588 ' CH2' HD22 ' A' ' 63' ' ' LEU . 12.6 m-90 -97.06 133.75 41.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 108.054 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.3 m -122.04 124.62 44.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.598 ' HA ' HD13 ' A' ' 3' ' ' ILE . . . -99.92 126.49 46.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.598 ' CH2' HG21 ' A' ' 13' ' ' VAL . 6.8 m95 -116.17 119.66 36.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 108.017 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -126.39 76.96 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.02 -132.61 6.9 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.41 -12.04 16.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -120.37 164.61 16.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.917 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -65.45 132.38 48.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.65 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -82.67 -36.57 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.515 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 165.68 176.87 37.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -124.07 -170.38 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.59 144.87 7.13 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -112.92 118.87 36.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.588 HD22 ' CH2' ' A' ' 49' ' ' TRP . 6.5 tt -129.87 117.22 19.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HB2' HD13 ' A' ' 46' ' ' ILE . 10.1 ttpt -125.86 129.17 48.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 129.73 43.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.12 -64.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.28 -173.97 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 68' ' ' THR . 25.7 p -65.84 -38.43 88.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.37 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -130.51 36.87 3.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -145.69 142.87 29.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.586 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.92 179.92 20.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.133 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -162.13 151.28 15.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 62' ' ' ALA . 3.6 mp -122.69 141.28 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.367 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.78 56.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 62' ' ' ALA . 0.2 OUTLIER 176.74 109.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.7 tpt -156.72 87.61 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.5 mmt-85 -138.95 160.15 40.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.66 ' O ' HD11 ' A' ' 16' ' ' LEU . 12.1 p -100.17 -79.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.391 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.7 t 179.3 -37.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.67 -61.51 0.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 80.1 p -172.75 38.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -174.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.6 155.68 21.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.85 150.59 23.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.756 ' HG3' HD12 ' A' ' 123' ' ' LEU . 0.0 OUTLIER 63.64 66.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.473 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . -174.38 -74.53 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.15 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 58' ' ' ALA . 2.9 t -52.89 -60.99 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.63 -46.29 63.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -33.75 33.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 3.6 mm100 -66.44 -44.23 83.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.9 t -71.71 -49.09 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.687 HD22 HD11 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -48.57 -52.68 21.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -44.4 77.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.707 ' CG ' HG21 ' A' ' 3' ' ' ILE . 9.4 t-80 -65.1 -40.91 95.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 mp -59.35 -46.17 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.687 HD11 HD22 ' A' ' 92' ' ' LEU . 13.1 mt -68.08 -38.16 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -41.33 98.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.493 ' OE1' ' CE1' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -56.67 -46.16 81.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.521 ' CB ' HD11 ' A' ' 107' ' ' LEU . . . -70.71 -30.99 67.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.87 -48.62 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -52.51 42.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -42.93 81.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.06 74.53 1.24 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -90.72 -175.08 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -114.23 -31.72 6.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 149' ' ' LYS . 2.8 mpp_? -162.98 153.62 16.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 1.024 HD12 HD11 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -121.06 133.77 55.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.6 t -100.93 168.98 9.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.702 HD22 ' CE2' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -164.68 154.51 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -104.72 103.14 12.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.5 p -99.13 -101.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . 111.68 -32.65 6.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.706 ' HB2' HG22 ' A' ' 145' ' ' VAL . 0.6 OUTLIER 89.99 34.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 109.976 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.51 ' HA ' ' CE ' ' A' ' 114' ' ' MET . 2.1 tpt -56.84 164.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.35 -45.84 68.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -16.96 59.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 117' ' ' PHE . 63.5 t80 -115.27 33.15 5.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.493 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.1 mt-10 -75.09 -51.85 3.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -75.0 -27.66 9.83 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.485 ' HB3' ' CD2' ' A' ' 117' ' ' PHE . . . -55.46 -49.55 72.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.653 ' HE ' HG21 ' A' ' 145' ' ' VAL . 9.0 tmm_? -63.78 -39.28 93.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.39 -25.07 67.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.756 HD12 ' HG3' ' A' ' 85' ' ' LYS . 0.3 OUTLIER -76.28 -34.76 59.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.557 ' CD2' HD11 ' A' ' 92' ' ' LEU . 9.5 m-85 -67.59 -52.28 40.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.485 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.2 pp20? -59.59 -27.62 66.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.3 t -79.83 -10.82 59.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.667 ' CD1' HD13 ' A' ' 92' ' ' LEU . 1.9 t80 -92.02 -17.12 25.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 134.93 -21.38 3.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.702 ' CE2' HD22 ' A' ' 109' ' ' LEU . 20.8 m-85 -55.34 140.03 40.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -127.3 149.45 50.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -58.95 137.88 57.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 2.2 m -161.69 174.53 13.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.297 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.8 132.77 2.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.568 ' HB3' ' CD1' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -75.01 155.87 42.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.41 ' O ' ' CD2' ' A' ' 138' ' ' TYR . 82.1 m-85 -129.01 -45.93 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -46.21 -63.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.47 -20.33 16.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.41 ' CD2' ' O ' ' A' ' 135' ' ' PHE . 0.7 OUTLIER 57.4 158.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 60.73 152.03 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.71 174.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 144' ' ' SER . 5.6 m-20 -159.17 152.96 19.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -14.4 21.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -169.35 88.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.44 ' HB2' ' CB ' ' A' ' 141' ' ' ASP . 0.6 OUTLIER -173.2 137.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.706 HG22 ' HB2' ' A' ' 113' ' ' SER . 30.2 m -104.93 165.87 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 134' ' ' PRO . 0.8 OUTLIER -166.78 145.11 5.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.485 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -157.08 157.53 34.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.0 t -125.79 157.03 38.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 36.7 tptt -96.46 144.69 26.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -108.26 106.38 16.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 1.024 HD11 HD12 ' A' ' 107' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.222 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 mtt . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.499 0.19 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -148.37 145.2 27.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.605 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.692 HG22 ' CE1' ' A' ' 94' ' ' HIS . 3.9 mt -90.33 128.72 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.48 176.92 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.531 HG13 ' CD1' ' A' ' 49' ' ' TRP . 2.1 mp -81.71 120.86 34.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -124.53 152.85 42.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 8' ' ' LEU . 5.2 t0 -124.04 100.93 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' ASP . 3.8 mp 40.25 88.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -145.86 98.75 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.83 117.02 4.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -47.81 68.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -57.89 -33.04 68.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.827 HG22 HD11 ' A' ' 57' ' ' LEU . 19.9 t -72.13 -41.49 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -72.06 -47.71 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -33.44 28.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.967 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.519 HD13 ' HA2' ' A' ' 59' ' ' GLY . 4.0 tt -68.03 -39.77 83.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 t -70.75 -25.59 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -80.92 -18.25 47.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 41.64 86.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -83.78 -32.26 25.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.614 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.687 HD23 ' N ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -64.2 -57.59 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.687 ' N ' HD23 ' A' ' 21' ' ' LEU . 58.5 t-80 -45.51 -76.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.633 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.41 154.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.0 mpp? 59.25 111.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.668 HG22 ' HG3' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -70.43 -9.93 57.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.81 166.28 25.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -42.28 -51.17 4.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.91 167.82 15.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.52 5.68 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.502 1.791 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.668 ' HG3' HG22 ' A' ' 25' ' ' THR . 18.4 Cg_endo -74.95 151.17 39.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -125.36 -61.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 p -176.49 57.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 tt -141.68 48.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.405 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 65.6 t60 -161.95 -57.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.624 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . 66.99 130.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 36' ' ' LEU . 6.7 tp -110.01 -141.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 39' ' ' GLU . . . -147.5 54.62 0.52 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.558 1.161 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 mp -44.86 -26.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 37' ' ' GLY . 3.3 mt-10 -90.45 40.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -132.66 -63.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HA ' HG21 ' A' ' 46' ' ' ILE . 4.1 mp -80.1 54.73 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -168.08 57.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.84 -175.73 35.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -45.0 -27.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 64' ' ' LYS . 9.0 mm -100.54 123.49 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.428 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 75.6 m -102.86 135.35 44.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -111.09 117.8 34.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.559 ' CZ3' ' HG ' ' A' ' 63' ' ' LEU . 16.8 m-90 -93.38 122.64 36.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.604 ' O ' HG23 ' A' ' 3' ' ' ILE . 4.0 m -93.52 168.63 10.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.712 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -156.83 135.02 11.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -126.99 116.04 20.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 107.981 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.526 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -111.72 80.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.07 -131.5 10.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.49 17.09 24.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -126.86 130.28 49.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.827 HD11 HG22 ' A' ' 13' ' ' VAL . 3.4 mm? -50.86 110.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.72 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -57.75 -45.03 86.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.519 ' HA2' HD13 ' A' ' 16' ' ' LEU . . . 149.92 -127.43 2.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -167.21 175.77 7.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' TRP . . . -151.46 154.26 25.45 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.662 ' HB3' ' CB ' ' A' ' 75' ' ' SER . . . -151.42 133.57 15.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.74 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.559 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -151.1 120.88 7.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -104.8 129.43 53.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.21 142.0 17.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 66' ' ' LEU . 3.7 mt -117.69 -59.25 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -127.64 -168.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.3 p -65.25 -38.13 89.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 -134.75 48.59 2.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.553 ' HE1' ' HB3' ' A' ' 108' ' ' SER . 68.9 t60 -147.15 138.1 23.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.578 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.62 150.5 20.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.2 131.22 48.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.683 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.2 mp -98.21 146.78 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.83 32.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.662 ' CB ' ' HB3' ' A' ' 62' ' ' ALA . 4.1 t -170.76 121.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.675 ' HE3' HD23 ' A' ' 92' ' ' LEU . 1.2 ppp? -178.7 34.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 161.06 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.437 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 70.9 m -80.95 -106.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.25 -74.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.503 ' HB1' HD13 ' A' ' 21' ' ' LEU . . . -174.18 70.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.59 25.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -70.75 -173.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.569 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.701 ' C ' HD22 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -60.97 159.64 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.01 148.32 37.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -169.87 -45.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.56 42.22 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 58' ' ' ALA . 1.4 t -62.99 -61.28 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.522 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -67.2 -33.56 75.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.467 ' HD3' ' CE1' ' A' ' 127' ' ' PHE . 0.7 OUTLIER -63.18 -40.18 96.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -56.87 -44.07 81.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.1 t -73.03 -50.23 33.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.721 ' CD1' HD11 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -52.41 -50.75 61.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -43.53 73.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.692 ' CE1' HG22 ' A' ' 3' ' ' ILE . 3.2 t-160 -61.04 -42.65 98.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.533 HG23 HD22 ' A' ' 63' ' ' LEU . 61.8 mt -64.39 -49.61 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.721 HD11 ' CD1' ' A' ' 92' ' ' LEU . 65.6 mt -58.37 -44.59 88.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -45.13 79.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.495 ' OE1' ' CD ' ' A' ' 102' ' ' ARG . 1.2 tm-20 -56.79 -50.86 71.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.801 ' CB ' HD21 ' A' ' 107' ' ' LEU . . . -65.64 -34.27 77.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.625 ' HG2' HD23 ' A' ' 151' ' ' LEU . 0.7 OUTLIER -66.44 -37.39 85.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -79.93 -32.88 40.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.582 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -70.89 -43.43 68.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.25 55.48 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 102' ' ' ARG . 16.2 m-30 -89.32 177.96 6.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -47.67 7.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.825 ' HA ' HD12 ' A' ' 151' ' ' LEU . 0.1 OUTLIER -163.25 159.55 22.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.873 HD11 HD21 ' A' ' 151' ' ' LEU . 1.0 OUTLIER -109.28 117.21 33.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.553 ' HB3' ' HE1' ' A' ' 70' ' ' HIS . 81.5 p -101.65 168.03 9.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.703 ' C ' HD12 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -174.33 162.84 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.618 ' N ' HD12 ' A' ' 109' ' ' LEU . 13.4 pt-20 -83.83 123.78 30.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.406 ' HB ' HD11 ' A' ' 109' ' ' LEU . 8.9 t -148.54 -176.86 5.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.59 -159.9 23.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.8 m -111.92 -4.12 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 118' ' ' GLU . 4.7 tpt -51.01 146.98 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.68 -33.85 61.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.3 m -70.22 -35.68 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -109.66 27.41 9.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.0 OUTLIER -74.84 -53.58 3.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.98 -17.4 19.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.21 -51.47 66.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.536 ' HA ' ' CD2' ' A' ' 124' ' ' TYR . 17.7 ptt180 -67.18 -35.39 79.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 119' ' ' PRO . 2.5 mtpp -61.62 -46.75 88.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.485 ' O ' HD22 ' A' ' 123' ' ' LEU . 1.8 tm? -53.23 -43.22 67.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.584 ' CZ ' HD21 ' A' ' 109' ' ' LEU . 13.1 m-30 -62.75 -50.16 72.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.407 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 45.5 mt-10 -54.8 -33.27 61.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.2 t -65.34 -14.24 60.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.467 ' CE1' ' HD3' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -98.24 -16.13 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 108.57 -1.86 32.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 0.3 OUTLIER -41.01 159.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 111.047 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -121.4 159.28 26.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.447 ' CE2' ' HE1' ' A' ' 147' ' ' MET . 13.6 m-85 -94.7 150.41 20.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.74 -176.26 5.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 108.272 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 10.6 mt-10 -57.78 151.41 42.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.245 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.13 23.88 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.652 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 0.1 OUTLIER -155.58 -164.12 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 135' ' ' PHE . . . 80.87 -168.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.92 -39.24 25.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -95.76 136.48 36.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -116.42 -162.77 13.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -42.35 158.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 0.727 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.429 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.7 OUTLIER 173.63 173.99 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 142' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.1 Cg_endo -75.05 1.56 7.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -166.71 80.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 53.9 p -153.4 136.73 15.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 5.4 m -148.0 151.82 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.601 ' CE1' ' CE2' ' A' ' 135' ' ' PHE . 15.8 t80 -122.38 146.18 47.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.447 ' HE1' ' CE2' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -120.68 142.22 49.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.466 ' C ' ' CD2' ' A' ' 129' ' ' PHE . 9.1 t -137.27 142.61 41.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 16.5 tptt -100.78 131.36 46.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 149' ' ' LYS . 3.9 ttpt -94.14 112.99 24.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.873 HD21 HD11 ' A' ' 107' ' ' LEU . 1.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HG3' ' CB ' ' A' ' 53' ' ' GLU . 28.2 mmt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.502 0.192 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -164.69 108.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.597 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.619 ' CG2' ' CD2' ' A' ' 94' ' ' HIS . 3.9 mm -119.92 122.53 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.12 173.33 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.571 HG13 ' CD1' ' A' ' 49' ' ' TRP . 2.6 mp -87.69 138.63 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.586 ' OD2' HG21 ' A' ' 13' ' ' VAL . 8.6 t70 -107.62 118.86 37.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -125.3 100.86 6.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' HG22 ' A' ' 9' ' ' THR . 0.1 OUTLIER 53.24 176.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 9' ' ' THR . 0.5 OUTLIER 71.94 12.1 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.73 76.56 0.4 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.8 -49.63 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -60.7 -29.62 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.586 HG21 ' OD2' ' A' ' 6' ' ' ASP . 37.0 t -74.11 -42.03 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.16 -48.57 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -34.61 30.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.703 ' O ' HD23 ' A' ' 16' ' ' LEU . 4.4 tt -72.73 -45.04 60.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 13' ' ' VAL . 68.9 t -64.9 -24.14 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -77.68 -61.35 2.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.23 97.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.04 -58.87 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.799 HD21 ' O ' ' A' ' 80' ' ' ALA . 21.3 mt -76.98 -54.03 7.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.406 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER 168.63 177.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.604 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m 69.31 162.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.025 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.07 83.18 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -147.95 125.21 11.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.02 -178.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 ptm -74.2 175.59 7.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.5 p -103.34 153.23 38.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 110.2 3.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.565 ' HB3' HG22 ' A' ' 33' ' ' ILE . 0.3 OUTLIER 176.55 139.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 m -71.11 60.9 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.565 HG22 ' HB3' ' A' ' 31' ' ' GLU . 4.1 tt -154.37 56.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.79 60.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.54 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.83 89.58 3.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.498 ' HA ' HD12 ' A' ' 36' ' ' LEU . 6.7 tp -118.91 -142.17 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 40' ' ' LYS . . . -141.66 43.45 1.08 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' GLY . 6.9 mp -40.17 -31.57 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 37' ' ' GLY . 25.1 mt-10 -96.55 48.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 37' ' ' GLY . 9.2 mttt -131.09 -57.77 1.02 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.606 HD23 ' HZ ' ' A' ' 48' ' ' PHE . 6.7 mp -66.84 -49.62 65.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -78.47 61.08 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.64 167.02 12.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.16 8.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 5.9 tt0 -107.56 54.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.488 HG21 ' O ' ' A' ' 41' ' ' LEU . 19.4 mm -126.09 136.11 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.591 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 17.9 m -121.78 125.76 47.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.627 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 2.9 m-85 -106.08 117.26 33.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CH2' HD22 ' A' ' 63' ' ' LEU . 20.2 m-90 -90.06 132.27 35.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.053 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.6 m -123.0 163.38 20.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.039 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -130.96 130.86 43.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.461 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 2.3 m95 -119.6 116.74 26.64 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.53 ' CG ' ' HB2' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -142.88 76.2 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.344 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.1 -128.02 2.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.0 -9.32 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -141.17 177.25 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.944 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.49 134.64 57.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 51' ' ' ALA . . . -82.39 -36.57 26.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.564 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 177.08 -175.86 47.84 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.516 ' SG ' HG13 ' A' ' 13' ' ' VAL . 3.5 m -141.47 -174.26 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.601 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . -178.26 164.22 32.79 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.627 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -131.86 127.34 36.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 0.734 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.692 HD22 ' CH2' ' A' ' 49' ' ' TRP . 3.0 tt -137.99 119.74 15.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -120.1 137.24 54.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.24 148.57 44.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.72 -81.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.83 -170.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.3 t -60.11 -44.07 95.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -135.8 40.88 2.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -139.26 131.11 27.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.612 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.92 170.26 23.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -149.33 154.31 38.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.9 mt -115.96 138.73 45.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.48 46.86 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.72 102.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.565 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -139.83 83.51 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -123.44 135.8 54.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.506 HG23 ' HB ' ' A' ' 87' ' ' VAL . 4.4 m -68.37 -83.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.25 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.799 ' O ' HD21 ' A' ' 21' ' ' LEU . . . -117.42 -69.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER 163.49 -29.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 82' ' ' HIS . 7.6 p80 -135.58 111.52 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 109.597 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.872 HD22 HG23 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -138.91 159.71 41.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.639 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -90.76 155.25 18.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 84' ' ' ARG . 0.2 OUTLIER 81.75 -67.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 131.44 110.0 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.434 1.084 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.872 HG23 HD22 ' A' ' 83' ' ' LEU . 68.8 t -73.87 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.565 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -52.21 -42.65 63.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.872 ' HG3' HD11 ' A' ' 123' ' ' LEU . 5.4 mtpt -55.23 -44.25 75.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 2.1 mm-40 -62.05 -54.03 47.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.0 t -57.63 -53.83 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.64 HD12 HD11 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -47.82 -49.89 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -42.5 91.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.619 ' CD2' ' CG2' ' A' ' 3' ' ' ILE . 5.2 t-160 -56.91 -49.75 74.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.627 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 mp -56.74 -50.26 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.64 HD11 HD12 ' A' ' 92' ' ' LEU . 63.8 mt -59.78 -51.98 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -41.87 71.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.429 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 5.3 tp10 -62.63 -51.03 68.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.09 -31.13 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.78 -45.93 90.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -51.83 67.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -34.82 75.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.98 57.1 3.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.601 ' HB2' HD13 ' A' ' 151' ' ' LEU . 14.9 m-85 -70.76 -173.72 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -108.08 -35.97 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -162.94 161.08 25.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.601 HD12 HD11 ' A' ' 151' ' ' LEU . 3.3 mt -123.44 118.22 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 m -106.98 168.86 8.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.593 HD11 ' CE2' ' A' ' 124' ' ' TYR . 0.3 OUTLIER -173.51 -175.7 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.439 ' HA ' ' CB ' ' A' ' 136' ' ' ALA . 12.6 pt-20 -95.72 128.08 42.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 145' ' ' VAL . 3.0 m -146.42 143.83 29.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.837 ' O ' HG22 ' A' ' 145' ' ' VAL . . . -143.91 -107.47 0.58 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.7 p 179.33 50.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 110.055 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.459 ' HE3' ' HA ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -95.0 142.57 27.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.8 -31.61 39.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.2 p -64.57 -44.57 90.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -119.39 45.78 2.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.5 tt0 -71.23 -52.9 8.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.99 -12.63 21.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.09 -51.85 60.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 30.1 ptt85 -67.33 -32.31 73.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER -66.49 -37.82 85.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.872 HD11 ' HG3' ' A' ' 89' ' ' LYS . 1.0 OUTLIER -64.0 -34.84 78.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.593 ' CE2' HD11 ' A' ' 109' ' ' LEU . 14.4 m-30 -69.35 -50.2 48.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.47 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 29.1 mt-10 -49.74 -43.3 47.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.3 t -61.38 -16.83 50.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.63 ' CE1' ' CD1' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -90.91 -17.14 26.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 121.74 -16.4 8.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.565 1.165 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 5.7 m-85 -44.64 139.82 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -114.94 162.72 16.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.429 ' CD2' ' SD ' ' A' ' 147' ' ' MET . 22.4 m-85 -89.82 135.75 33.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 71.6 m -148.73 160.3 43.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.278 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -41.88 163.38 0.12 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.43 14.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.453 1.765 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 136' ' ' ALA . 76.8 t80 -132.15 -43.09 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -36.85 -62.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -172.5 -65.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -47.68 121.23 3.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -84.78 -163.72 37.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -49.49 157.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 167.69 167.23 0.13 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 0.45 8.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -156.59 78.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.47 ' C ' HG13 ' A' ' 145' ' ' VAL . 3.7 t -164.69 129.19 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 112' ' ' GLY . 15.9 m -154.43 144.75 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.527 ' CE2' ' HB ' ' A' ' 148' ' ' THR . 17.3 t80 -117.32 156.85 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.47 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -131.56 143.81 50.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.527 ' HB ' ' CE2' ' A' ' 146' ' ' PHE . 2.7 t -139.08 128.05 23.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.431 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 2.6 tmtt? -90.49 145.37 24.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.51 109.07 18.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.601 HD11 HD12 ' A' ' 107' ' ' LEU . 1.2 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.544 0.212 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.92 109.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.603 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.581 HG22 ' CE1' ' A' ' 94' ' ' HIS . 3.2 mt -118.97 132.98 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -135.98 175.21 9.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.63 111.28 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.37 149.93 50.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -119.63 100.38 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' HA ' ' CG1' ' A' ' 13' ' ' VAL . 0.6 OUTLIER 37.72 86.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.438 ' HB ' ' CG2' ' A' ' 13' ' ' VAL . 23.5 m -62.7 -81.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.543 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -132.84 -125.68 2.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.07 -29.86 23.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -63.42 -49.52 73.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 8' ' ' LEU . 79.4 t -73.27 -38.76 54.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 10' ' ' GLY . 3.3 t -61.66 -45.69 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.86 -46.99 74.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -44.77 77.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.69 -46.84 95.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -63.73 -70.12 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 176.68 137.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -92.82 -48.25 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.637 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.893 ' HG ' ' HB2' ' A' ' 80' ' ' ALA . 1.1 mt -70.97 -61.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -176.9 125.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.631 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -52.27 -68.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.97 165.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.2 t -141.47 137.99 32.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' MET . 0.6 OUTLIER -98.49 158.12 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 26' ' ' LEU . 4.0 ptp 42.55 -166.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.77 127.01 92.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.4 Cg_endo -74.98 146.77 33.15 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 29' ' ' PRO . 18.4 Cg_endo -74.96 -173.82 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.548 1.815 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -121.65 93.26 3.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.6 p -160.55 171.97 18.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.618 HG23 ' O ' ' A' ' 33' ' ' ILE . 10.3 tt -71.99 65.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 77.24 -77.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.624 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 49.52 96.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.724 HD13 ' C ' ' A' ' 36' ' ' LEU . 1.7 tm? -50.64 -53.84 27.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.19 54.0 0.46 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 mp -45.83 -89.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.306 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 51.66 28.23 4.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -123.85 -80.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.571 ' HG ' ' CZ ' ' A' ' 48' ' ' PHE . 2.6 mm? -68.68 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 38.96 81.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.69 146.12 13.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -9.42 20.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -136.89 51.84 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.567 HD12 HD12 ' A' ' 41' ' ' LEU . 13.6 mm -106.8 125.73 62.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.543 ' CG2' ' CH2' ' A' ' 49' ' ' TRP . 52.6 m -99.43 143.01 30.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 110.43 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.832 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 3.0 m-85 -127.2 123.15 35.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.543 ' CH2' ' CG2' ' A' ' 47' ' ' THR . 10.4 m-90 -97.5 119.67 36.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 108.014 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.507 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 33.0 m -101.31 129.03 47.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.16 123.48 43.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.507 ' CZ2' ' HB3' ' A' ' 50' ' ' SER . 1.1 m95 -125.34 114.91 19.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 107.989 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -114.92 78.53 1.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.71 -128.74 6.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.058 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.31 -13.21 16.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -119.35 160.58 22.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.964 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -67.35 139.61 57.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.536 ' HB1' HG22 ' A' ' 87' ' ' VAL . . . -94.92 -33.77 12.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.512 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 176.25 -154.41 16.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.5 p -160.06 169.1 24.09 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TRP . . . -169.71 117.04 0.69 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.14 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.832 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . . . -114.53 153.82 29.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.525 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 3.2 pp -139.99 124.73 18.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' HG3' HD11 ' A' ' 46' ' ' ILE . 1.4 ttpt -92.91 125.6 37.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.4 156.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.495 HD13 ' ND1' ' A' ' 70' ' ' HIS . 5.5 mt -139.91 -75.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.35 -175.16 3.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -57.99 -42.3 84.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.22 38.57 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.495 ' ND1' HD13 ' A' ' 66' ' ' LEU . 4.1 t-80 -136.85 132.49 34.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.592 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.39 154.86 22.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 111.047 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.418 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 3.9 tt0 -133.88 134.03 42.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 110.287 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.4 mp -101.41 137.29 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.18 59.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.47 120.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.43 93.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.36 100.08 6.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 79' ' ' SER . 82.5 m -48.06 167.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.539 ' HB2' HG21 ' A' ' 87' ' ' VAL . 4.2 t -103.22 130.27 50.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.893 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . . . -82.92 -165.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER 87.9 -20.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 70.36 81.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.635 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 83' ' ' LEU . 3.9 pp -124.89 146.57 49.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -100.52 97.02 7.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -149.07 -59.91 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 118.66 61.65 0.28 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.539 HG21 ' HB2' ' A' ' 79' ' ' SER . 21.6 t -62.07 -60.47 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.56 96.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.83 ' HG3' HD11 ' A' ' 123' ' ' LEU . 13.2 mttt -56.31 -44.57 80.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 4.9 mm100 -57.96 -50.99 71.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.74 -51.95 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.523 HD21 ' CZ ' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -48.19 -52.46 20.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -49.07 75.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.581 ' CE1' HG22 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -60.55 -45.53 93.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.641 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 96' ' ' ILE . 1.0 OUTLIER -53.49 -51.46 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.737 HD12 ' CE2' ' A' ' 127' ' ' PHE . 79.0 mt -63.22 -45.39 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -42.4 74.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.498 ' CD ' ' CZ2' ' A' ' 49' ' ' TRP . 4.3 mm-40 -56.84 -49.23 76.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.255 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.411 ' HA ' ' CE2' ' A' ' 104' ' ' TYR . . . -66.82 -33.78 76.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -48.39 79.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -52.4 -52.62 52.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.568 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -65.82 -41.36 91.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.65 56.62 2.33 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 102' ' ' ARG . 22.3 m-85 -76.9 -168.91 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -115.73 -34.62 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -163.08 160.94 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.75 HD23 HD21 ' A' ' 151' ' ' LEU . 0.4 OUTLIER -144.28 131.36 20.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -103.3 165.47 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.966 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.479 HD21 ' CE2' ' A' ' 129' ' ' PHE . 2.2 pp -169.63 163.7 10.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -104.92 104.09 13.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 112' ' ' GLY . 3.3 t -121.35 -54.64 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.494 ' N ' HG23 ' A' ' 111' ' ' THR . . . 63.01 -150.93 48.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 83.2 p -139.6 51.59 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -75.79 150.35 37.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.07 -34.1 55.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.5 t -77.05 -41.78 41.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -108.01 43.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.2 mt-10 -73.21 -53.31 4.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -75.0 -21.81 15.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.95 -51.08 71.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 29.9 ptt85 -65.08 -32.22 73.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -72.57 -42.67 64.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.83 HD11 ' HG3' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -56.41 -32.06 64.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.523 ' CZ ' HD21 ' A' ' 92' ' ' LEU . 3.7 m-85 -71.63 -50.17 33.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.477 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 34.8 mt-10 -50.15 -41.8 49.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.341 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.7 t -61.79 -13.62 25.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.737 ' CE2' HD12 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -96.65 -17.35 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 131.49 -27.41 3.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 4.4 m-85 -42.5 139.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -126.6 166.45 17.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.14 133.39 34.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 m -136.87 179.06 6.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 108.288 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.467 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -50.58 143.45 14.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.463 ' CG ' ' HG2' ' A' ' 140' ' ' GLU . 18.2 Cg_endo -75.0 124.72 8.84 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.543 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 16.8 t80 -137.65 -87.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.543 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 40.21 -151.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -60.8 3.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -107.03 143.99 34.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 140' ' ' GLU . . . -59.13 -149.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.463 ' HG2' ' CG ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -48.78 177.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.771 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.414 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.4 OUTLIER -173.8 173.41 1.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 142' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.3 Cg_endo -74.97 -32.43 5.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -144.94 74.32 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.4 m -165.85 143.94 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.464 HG22 ' C ' ' A' ' 112' ' ' GLY . 5.0 m -136.63 -177.91 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 133' ' ' GLU . 70.4 t80 -137.61 156.39 48.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.477 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -138.21 148.61 44.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.9 t -139.11 145.84 39.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.443 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 2.5 tmtm? -110.1 133.81 52.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -107.34 109.8 21.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.75 HD21 HD23 ' A' ' 107' ' ' LEU . 2.4 mm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.521 0.2 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -165.49 107.9 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.603 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.955 HG21 ' CG ' ' A' ' 94' ' ' HIS . 37.5 mm -120.29 137.63 53.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -141.34 174.57 10.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.554 HG12 ' CD1' ' A' ' 49' ' ' TRP . 47.5 mt -114.47 119.25 60.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -127.37 130.94 50.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.93 100.99 6.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 46.11 88.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -174.41 121.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.64 115.12 2.0 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.42 -29.26 15.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.754 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -71.7 -45.27 62.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.4 t -71.04 -36.07 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -71.34 -42.18 73.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 m -54.67 -35.04 63.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.823 HD23 HD21 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -63.77 -43.35 96.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.99 -44.95 92.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.515 ' O ' ' C ' ' A' ' 19' ' ' GLU . 5.0 m-80 -59.12 -22.44 60.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.515 ' C ' ' O ' ' A' ' 18' ' ' ASN . 1.3 pt-20 27.62 87.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -34.95 75.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.619 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.73 -56.25 16.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.443 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 2.3 t60 -100.51 82.63 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.2 178.2 7.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 26' ' ' LEU . 8.6 mtt -76.62 -171.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.8 m 60.46 -83.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 24' ' ' MET . 0.3 OUTLIER -61.09 -161.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.241 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.6 171.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m 65.02 95.95 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 158.86 41.69 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.802 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.07 7.74 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.472 1.775 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -120.98 107.05 12.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.2 p -39.63 155.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.6 mm 64.49 140.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.01 -72.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.603 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 53.96 82.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.7 tp 64.19 137.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.59 55.63 2.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mp -41.31 -67.89 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 0.766 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -90.94 49.91 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.04 -64.82 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.917 HD13 HD12 ' A' ' 46' ' ' ILE . 4.2 mm? -77.21 -28.75 53.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -79.42 59.59 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.37 165.22 26.78 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.1 18.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.564 1.823 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -95.78 48.58 1.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.917 HD12 HD13 ' A' ' 41' ' ' LEU . 10.1 mm -133.31 129.96 57.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.487 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 46.5 m -116.08 141.09 48.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.46 ' O ' HG23 ' A' ' 5' ' ' ILE . 2.8 m-85 -123.84 149.55 45.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.573 ' CH2' ' HG ' ' A' ' 63' ' ' LEU . 12.1 m-90 -127.96 123.77 35.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.0 m -110.01 137.87 47.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.053 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.59 ' HB2' ' CD1' ' A' ' 3' ' ' ILE . . . -110.87 136.69 49.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.357 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.486 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 17.1 m95 -117.26 122.25 43.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 107.999 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 7.1 tp10 -131.66 76.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.84 -132.3 6.81 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.95 -4.82 21.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -133.56 154.67 50.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.867 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -53.8 133.33 42.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.424 ' HB2' ' HB3' ' A' ' 53' ' ' GLU . . . -80.49 -36.93 32.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.526 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 171.37 -150.37 13.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 49' ' ' TRP . 25.4 p 178.14 163.19 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -143.92 -174.0 15.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.632 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -158.36 152.09 23.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.573 ' HG ' ' CH2' ' A' ' 49' ' ' TRP . 2.8 pp -155.91 134.27 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -109.6 135.37 50.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.67 152.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 66' ' ' LEU . 4.7 mt -133.63 -87.05 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.443 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -119.42 179.73 4.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.3 p -55.23 -36.5 66.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 105' ' ' GLU . 0.2 OUTLIER -134.08 32.39 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.443 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 4.4 t-160 -132.34 134.31 45.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.21 171.02 24.77 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -153.97 154.38 33.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 0.813 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.632 HG23 ' O ' ' A' ' 62' ' ' ALA . 2.1 mp -122.29 138.7 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.401 ' N ' ' HE3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -138.71 37.76 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.627 ' HB2' ' HB3' ' A' ' 62' ' ' ALA . 1.2 m -159.46 124.37 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.912 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 3.2 ttt -178.01 112.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -148.39 160.57 42.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.4 m -114.96 145.18 42.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.52 -61.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -132.47 158.71 41.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.49 -24.43 65.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.37 73.89 0.93 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.571 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.1 tp -124.54 157.92 34.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -91.9 154.02 19.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.64 143.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -78.15 91.52 1.13 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.2 t -50.98 -60.93 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.912 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -53.1 -32.21 46.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.451 ' HG2' ' CE2' ' A' ' 127' ' ' PHE . 1.0 OUTLIER -64.02 -44.43 92.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -58.27 -44.96 88.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 79.0 t -73.29 -49.99 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.848 HD23 ' CD2' ' A' ' 127' ' ' PHE . 14.5 tp -48.02 -46.89 33.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -48.56 72.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.955 ' CG ' HG21 ' A' ' 3' ' ' ILE . 39.1 t60 -63.15 -44.06 96.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.575 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.529 HG21 HG12 ' A' ' 73' ' ' ILE . 53.5 mt -59.22 -52.27 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.556 HD12 ' CE1' ' A' ' 127' ' ' PHE . 73.4 mt -57.62 -42.22 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -43.77 97.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -55.04 -47.27 75.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.612 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . . . -68.82 -31.69 70.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -23.29 65.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -77.63 -43.46 31.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -80.12 -33.79 38.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.63 57.89 2.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.612 ' CD2' ' HA ' ' A' ' 99' ' ' ALA . 23.8 m-85 -64.58 -172.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -106.81 -39.86 5.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.15 161.1 24.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 149' ' ' LYS . 0.6 OUTLIER -117.48 122.27 43.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 92.7 p -105.88 168.21 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.907 HD13 ' CE1' ' A' ' 124' ' ' TYR . 1.0 OUTLIER -161.1 166.22 28.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -103.11 102.9 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.56 HG22 HG23 ' A' ' 145' ' ' VAL . 1.2 m -137.28 128.36 27.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.2 44.81 0.97 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.547 ' OG ' HG13 ' A' ' 145' ' ' VAL . 1.4 m 53.56 25.05 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.974 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.509 ' HE3' ' HA ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -62.12 129.54 41.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.97 -28.52 38.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.9 p -74.34 -29.34 61.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.47 ' HD2' ' HB2' ' A' ' 120' ' ' ALA . 10.8 m-85 -123.37 33.06 5.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.0 OUTLIER -56.14 -54.31 53.98 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.98 -21.45 15.89 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.47 ' HB2' ' HD2' ' A' ' 117' ' ' PHE . . . -50.77 -51.48 49.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 5.4 ppt_? -64.4 -31.04 72.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.4 OUTLIER -74.06 -33.87 63.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.516 HD13 ' C ' ' A' ' 123' ' ' LEU . 3.3 tm? -73.14 -41.88 63.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.907 ' CE1' HD13 ' A' ' 109' ' ' LEU . 11.6 m-85 -61.54 -53.3 58.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.488 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.6 OUTLIER -61.57 -27.74 68.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.8 t -69.73 -11.53 60.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.848 ' CD2' HD23 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -98.33 -17.31 18.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.984 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 138.18 -30.67 2.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.614 ' CE2' HD23 ' A' ' 109' ' ' LEU . 9.5 m-85 -37.24 135.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -124.07 145.52 49.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -60.49 140.59 57.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -168.54 -173.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.87 141.97 1.19 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.98 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -95.31 -25.85 16.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -42.29 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -137.15 28.8 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 52.21 173.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.27 149.22 6.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -98.28 170.76 8.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -167.53 145.62 3.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.55 21.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -128.45 66.96 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.4 m -173.56 147.92 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.044 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.56 HG23 HG22 ' A' ' 111' ' ' THR . 28.2 m -127.48 137.34 58.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.523 ' CD1' ' HB3' ' A' ' 134' ' ' PRO . 0.3 OUTLIER -133.38 148.72 51.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.95 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.488 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -158.4 165.31 34.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 10.8 t -139.34 156.93 46.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -100.62 138.92 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.58 111.1 20.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.487 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 13.3 mtt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.51 0.195 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 1' ' ' MET . 42.0 m-70 -165.02 108.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.816 HD13 ' HA ' ' A' ' 51' ' ' ALA . 22.6 mm -118.96 137.08 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 3' ' ' ILE . 9.3 mtpt -158.99 176.43 12.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.1 mt -87.18 141.73 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.31 127.32 40.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -124.17 153.63 41.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.502 HD23 HG21 ' A' ' 14' ' ' VAL . 2.7 mt -59.97 82.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 9' ' ' THR . 1.3 t -160.92 25.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.23 97.54 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -52.18 -26.62 11.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.765 . . . . 0.0 110.27 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -69.58 -44.04 71.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.51 HG21 ' CH2' ' A' ' 52' ' ' TRP . 53.9 t -71.95 -39.82 67.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.502 HG21 HD23 ' A' ' 8' ' ' LEU . 53.8 t -71.56 -46.45 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 22.8 t -50.66 -53.13 33.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.55 HD13 HD21 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -53.29 -46.09 69.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 13' ' ' VAL . 63.7 t -63.26 -43.34 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -58.09 -70.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -177.27 108.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -94.51 -45.26 7.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.622 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -59.42 2.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 62.55 100.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.599 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.5 p 179.45 78.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -146.16 164.59 31.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 p -128.36 -57.72 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.679 ' C ' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -50.14 150.48 2.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.98 160.6 39.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 p -45.84 161.09 0.26 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.5 29.07 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.547 1.814 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -135.85 -155.56 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.02 91.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.512 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.8 mt 43.13 69.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.534 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 46.7 m80 68.35 -74.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . 73.26 130.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.3 tp -146.83 -129.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' LYS . . . -153.64 32.06 0.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mp -41.15 -35.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -107.16 49.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 37' ' ' GLY . 7.8 mttt -137.17 -69.64 0.46 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.674 HD13 HG21 ' A' ' 46' ' ' ILE . 4.0 mm? -73.91 -35.73 64.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.7 ttt180 -95.09 61.63 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.42 179.66 34.86 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.451 1.094 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -40.18 -34.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.674 HG21 HD13 ' A' ' 41' ' ' LEU . 4.2 mt -113.04 158.55 13.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.608 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 4.4 m -131.71 142.89 49.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.432 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -116.24 120.54 39.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.608 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 19.7 m-90 -98.93 138.64 35.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 107.96 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.471 ' HA ' ' CB ' ' A' ' 60' ' ' CYS . 11.8 p -123.04 170.21 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.861 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -135.94 120.78 18.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.51 ' CH2' HG21 ' A' ' 13' ' ' VAL . 6.9 m95 -107.59 120.38 42.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -125.15 76.76 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.15 -131.0 6.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.49 -12.09 15.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -118.73 162.38 18.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.919 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -65.28 129.67 40.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.861 ' HB3' ' O ' ' A' ' 51' ' ' ALA . . . -80.9 -39.5 26.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.64 -166.58 36.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 17.1 p -177.98 170.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . -152.35 -176.45 25.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.725 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -112.18 154.19 25.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 0.741 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.908 HD12 HG23 ' A' ' 95' ' ' ILE . 4.7 tt -156.93 115.25 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -122.51 140.32 52.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.97 151.18 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 -61.0 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.08 -163.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -76.13 -36.3 58.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.05 41.8 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -142.3 138.19 31.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.609 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -139.19 164.42 25.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -146.68 143.73 28.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.76 . . . . 0.0 110.281 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.938 HG12 HD13 ' A' ' 95' ' ' ILE . 4.7 mp -120.94 131.55 72.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -132.96 64.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.96 97.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.497 ' HE3' ' O ' ' A' ' 88' ' ' ALA . 1.9 tpt -137.22 88.48 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.05 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -126.9 137.6 53.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.483 ' HB ' ' CG ' ' A' ' 82' ' ' HIS . 20.2 m -86.44 -71.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.47 ' HB2' HD11 ' A' ' 16' ' ' LEU . 4.7 t 166.75 63.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 62.11 116.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.524 ' O ' ' CG ' ' A' ' 82' ' ' HIS . 0.2 OUTLIER 75.27 -55.5 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.965 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 81' ' ' SER . 1.0 OUTLIER 88.73 115.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 pp -72.99 158.99 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.45 104.29 16.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.08 -57.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.37 52.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.613 HG22 ' HB1' ' A' ' 58' ' ' ALA . 2.7 t -74.56 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.497 ' O ' ' HE3' ' A' ' 76' ' ' MET . . . -55.79 -34.43 65.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -46.66 87.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.366 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.501 ' HB3' HD11 ' A' ' 3' ' ' ILE . 7.9 mm100 -57.09 -48.06 79.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.02 -49.0 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.862 HD23 ' CD2' ' A' ' 127' ' ' PHE . 6.0 tp -56.72 -51.25 69.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -37.08 66.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.612 ' CE1' ' CG2' ' A' ' 3' ' ' ILE . 12.0 t-160 -66.63 -55.19 16.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.938 HD13 HG12 ' A' ' 73' ' ' ILE . 26.4 mt -53.88 -43.8 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.683 ' CD1' ' CE1' ' A' ' 127' ' ' PHE . 67.4 mt -60.98 -56.04 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -37.52 67.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -48.94 79.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.45 -32.71 73.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.476 ' CD ' HD11 ' A' ' 151' ' ' LEU . 0.8 OUTLIER -63.34 -38.99 93.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -16.42 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.74 -42.98 10.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.243 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.94 47.01 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.478 ' O ' HD23 ' A' ' 151' ' ' LEU . 3.8 m-85 -93.99 164.76 12.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.65 13.66 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -155.62 144.52 20.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.472 HD21 HG22 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -143.6 118.86 10.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.1 t -101.03 169.16 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.851 HD13 ' CE2' ' A' ' 124' ' ' TYR . 1.2 pp -148.97 163.21 38.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.414 ' N ' HD12 ' A' ' 109' ' ' LEU . 1.4 tt0 -103.82 104.67 14.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.61 ' CG2' HD11 ' A' ' 109' ' ' LEU . 2.2 t -144.44 140.51 29.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.437 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -147.54 36.91 1.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 p 52.97 38.69 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.062 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.581 ' HE3' ' HA ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -90.84 136.99 32.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.83 -32.31 43.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.1 t -66.3 -34.23 77.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -122.49 37.5 4.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 2.3 mt-10 -65.79 -50.98 51.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.97 -22.96 14.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.99 -49.77 72.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 118' ' ' GLU . 23.1 ptt85 -67.15 -33.93 76.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -71.82 -30.29 65.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.66 HD13 ' C ' ' A' ' 123' ' ' LEU . 1.5 tm? -77.19 -38.63 51.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.851 ' CE2' HD13 ' A' ' 109' ' ' LEU . 9.2 m-85 -64.89 -51.49 61.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.475 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.3 pp20? -59.44 -33.03 70.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.8 t -68.7 -11.79 60.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.862 ' CD2' HD23 ' A' ' 92' ' ' LEU . 2.5 t80 -98.37 -17.07 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 136.54 -35.17 2.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.695 ' CD1' HD23 ' A' ' 109' ' ' LEU . 22.0 m-85 -37.95 137.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -127.81 151.93 48.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -60.32 148.13 38.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.2 m -169.72 179.66 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.336 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -49.81 149.41 4.6 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.97 162.45 37.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -145.23 -45.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -44.98 159.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.4 -49.29 5.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -52.86 139.74 26.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -107.48 179.14 22.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -43.21 166.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.11 166.93 0.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.41 9.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -150.3 75.98 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.61 132.9 3.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.59 ' C ' ' CD1' ' A' ' 146' ' ' PHE . 4.0 m -135.54 149.23 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 145' ' ' VAL . 6.1 m-85 -145.27 143.63 30.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.493 ' CG ' HD21 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -141.66 154.01 45.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.2 t -127.21 155.94 42.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.373 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 129' ' ' PHE . 9.7 tmtt? -111.38 144.47 40.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -110.96 107.77 17.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 104' ' ' TYR . 8.0 tp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.527 0.203 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -165.03 108.55 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.706 ' CG2' ' CE1' ' A' ' 94' ' ' HIS . 12.6 mm -119.4 136.91 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 179.15 7.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.552 HG12 ' CD1' ' A' ' 49' ' ' TRP . 9.6 mt -110.44 138.19 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.408 ' CB ' ' OG ' ' A' ' 50' ' ' SER . 9.1 t70 -125.28 124.77 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -122.69 104.12 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 7' ' ' ASP . 0.6 OUTLIER 37.54 60.43 1.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -154.73 109.22 2.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 119.85 118.08 2.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -63.9 -53.05 56.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -60.41 -33.6 72.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.754 HG22 HD11 ' A' ' 57' ' ' LEU . 15.8 t -72.3 -49.45 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 10' ' ' GLY . 39.5 t -61.19 -49.62 83.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -52.79 -40.88 63.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -38.41 80.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.7 t -75.6 -30.6 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -76.91 -69.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HG2' ' CG ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER 170.39 88.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -94.65 -56.55 2.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.618 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -60.02 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.42 ' CG ' ' HG2' ' A' ' 19' ' ' GLU . 19.0 t-160 42.26 67.06 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.636 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 t -44.34 119.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.41 150.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.9 m 62.35 123.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.535 HD12 ' HB2' ' A' ' 27' ' ' MET . 2.3 pp -106.33 153.39 22.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.535 ' HB2' HD12 ' A' ' 26' ' ' LEU . 3.7 tpt 72.51 128.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.21 123.77 49.59 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 173.21 14.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.5 2.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -70.57 88.46 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 p -137.86 49.02 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.431 ' O ' ' CG2' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -79.64 116.6 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.438 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 46.0 t-80 42.37 41.79 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.588 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . 68.25 132.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' A' ' 36' ' ' LEU . 6.7 tp -121.69 -140.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.073 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.32 49.97 0.63 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.426 1.079 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mp -44.79 -34.88 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.262 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -88.63 44.3 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -123.08 -68.42 0.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.62 HD21 ' O ' ' A' ' 74' ' ' LYS . 4.3 mp -82.92 55.71 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -164.89 42.07 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.262 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.8 -176.01 21.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -47.16 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -42.53 -30.47 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.51 HD11 ' HG3' ' A' ' 64' ' ' LYS . 6.5 mm -95.5 129.32 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.596 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 93.8 m -109.33 137.97 46.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 62' ' ' ALA . 7.0 m-85 -117.6 127.81 54.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.596 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 17.0 m-90 -104.52 141.0 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.408 ' OG ' ' CB ' ' A' ' 6' ' ' ASP . 71.4 m -129.01 144.15 51.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.799 ' C ' ' HB3' ' A' ' 58' ' ' ALA . . . -117.45 133.36 56.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -117.43 126.14 52.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 108.032 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.603 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 60.1 tt0 -135.88 77.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.37 -133.66 11.77 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.65 13.3 30.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.343 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -133.38 148.04 51.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.754 HD11 HG22 ' A' ' 13' ' ' VAL . 3.2 mm? -57.06 119.01 5.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.892 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -68.06 -20.5 64.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.32 177.61 17.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.458 ' O ' HG11 ' A' ' 91' ' ' VAL . 63.7 m -140.84 151.94 44.74 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -157.55 147.89 16.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.426 ' HB2' ' CD1' ' A' ' 48' ' ' PHE . . . -155.34 155.68 34.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.666 HD22 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -142.36 139.67 31.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.51 ' HG3' HD11 ' A' ' 46' ' ' ILE . 25.1 ttpt -96.82 135.81 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.38 112.75 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -93.44 -77.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 37.8 m-20 -121.49 -172.87 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.1 t -66.8 -32.56 73.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -131.35 21.03 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.432 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 19.4 t-80 -127.13 143.45 51.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.588 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -146.92 179.99 23.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 21.6 tt0 -162.57 149.91 13.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 108' ' ' SER . 1.4 mp -91.92 120.44 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.62 ' O ' HD21 ' A' ' 41' ' ' LEU . 7.2 mmpt? -120.78 43.76 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.3 t -176.5 116.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 173.11 111.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.36 114.8 11.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 96.0 m -155.31 146.31 22.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.397 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.1 t -178.12 40.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.45 150.07 25.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.6 p -107.28 33.48 3.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.034 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -104.47 -10.83 17.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.586 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mt -143.07 149.35 38.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.2 114.32 18.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.0 86.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.72 -62.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 58' ' ' ALA . 24.7 t -62.19 -61.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.98 -31.12 71.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -46.69 73.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.15 -55.01 39.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.458 HG11 ' O ' ' A' ' 60' ' ' CYS . 89.2 t -56.69 -48.78 80.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 50.3 tp -56.59 -45.49 81.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -36.62 78.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.706 ' CE1' ' CG2' ' A' ' 3' ' ' ILE . 8.1 t-160 -65.76 -50.62 64.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.625 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.61 HG13 HD12 ' A' ' 63' ' ' LEU . 1.3 mp -53.03 -47.88 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.695 HD13 ' CE1' ' A' ' 127' ' ' PHE . 21.4 mt -61.51 -37.88 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -52.93 60.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.457 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 1.6 mp0 -55.51 -46.36 76.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.596 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . . . -70.38 -30.57 67.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.544 ' HG3' HG22 ' A' ' 96' ' ' ILE . 0.9 OUTLIER -71.46 -40.04 70.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -29.28 61.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -43.11 40.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.08 52.12 1.67 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.596 ' CD2' ' HA ' ' A' ' 99' ' ' ALA . 22.5 m-85 -74.21 -173.36 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -111.88 -34.58 5.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.05 158.96 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.2 mt -116.43 120.14 37.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.735 ' O ' HD12 ' A' ' 73' ' ' ILE . 64.3 p -101.14 169.02 9.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.962 HD22 ' CD1' ' A' ' 124' ' ' TYR . 1.4 pp -156.82 170.0 23.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -105.48 109.8 21.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.602 HG23 HD13 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -144.27 123.33 12.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.553 ' HA2' HG22 ' A' ' 145' ' ' VAL . . . -142.46 53.11 0.63 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 p 42.05 53.52 4.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.616 ' HE3' ' HA ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -105.25 134.71 47.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.53 -46.87 70.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 96.4 p -56.67 -28.53 60.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -124.91 39.32 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 2.6 mt-10 -74.92 -50.34 4.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -75.01 -27.25 10.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.0 86.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.449 ' NE ' ' OH ' ' A' ' 131' ' ' TYR . 18.3 ttp-105 -71.82 -35.13 69.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.16 -28.18 60.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 123' ' ' LEU . 2.0 tm? -75.39 -38.91 59.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.962 ' CD1' HD22 ' A' ' 109' ' ' LEU . 4.7 m-85 -63.63 -51.99 62.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.5 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.4 OUTLIER -62.81 -28.07 69.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.7 m -62.83 -14.07 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.695 ' CE1' HD13 ' A' ' 96' ' ' ILE . 53.8 t80 -98.95 -17.47 18.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 132.88 -26.1 3.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 149' ' ' LYS . 12.4 m-85 -34.91 131.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -102.35 147.35 26.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.503 ' CE1' ' CE ' ' A' ' 147' ' ' MET . 15.6 m-85 -79.54 83.58 5.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.445 ' O ' ' O ' ' A' ' 133' ' ' GLU . 89.1 m -153.04 157.8 41.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 108.258 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 132' ' ' CYS . 1.4 tt0 55.88 113.91 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.546 ' O ' ' CG ' ' A' ' 135' ' ' PHE . 18.1 Cg_endo -75.04 177.74 8.2 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.809 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 108' ' ' SER . 13.2 m-85 -173.64 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -40.05 154.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.66 -44.56 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -60.97 175.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -123.15 -168.54 13.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 141' ' ' ASP . 44.4 mt-10 -59.1 153.66 17.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 110.329 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 140' ' ' GLU . 7.7 m-20 163.14 161.55 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 0.27 9.07 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -129.18 58.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.3 t -151.68 178.9 8.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.553 HG22 ' HA2' ' A' ' 112' ' ' GLY . 35.0 m -140.43 179.99 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -154.81 163.73 39.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.792 ' CB ' HD11 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -159.57 129.17 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.048 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.6 t -139.24 148.98 43.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -120.54 146.48 46.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.4 122.38 46.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.555 0.216 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.435 ' NE2' ' HG3' ' A' ' 4' ' ' LYS . 10.0 t-160 -165.15 107.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.582 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.652 HG21 ' CG ' ' A' ' 94' ' ' HIS . 6.7 mm -120.2 137.42 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.435 ' HG3' ' NE2' ' A' ' 2' ' ' HIS . 5.9 mttt -143.46 177.14 8.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.571 HG12 ' CD1' ' A' ' 49' ' ' TRP . 10.9 mt -111.3 131.56 62.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' OD1' HG11 ' A' ' 13' ' ' VAL . 4.6 t0 -96.18 118.76 33.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 8' ' ' LEU . 4.8 m-20 -125.2 100.77 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 7' ' ' ASP . 2.8 mp 39.67 59.03 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.69 160.78 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 115.62 105.82 2.53 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -56.83 6.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -60.18 -30.66 69.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.859 HG23 ' CH2' ' A' ' 52' ' ' TRP . 2.7 t -74.69 -53.6 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' GLY . 25.2 t -58.85 -45.68 91.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -33.08 59.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -73.23 -44.57 59.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.12 -23.02 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -92.7 -19.93 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.26 166.41 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -53.12 -31.26 41.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.642 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.2 -52.93 39.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 59.11 159.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.606 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.5 p -114.57 135.29 54.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.1 ptm -44.75 127.4 6.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 p -87.11 -20.81 26.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.37 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 49.76 85.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.7 ttt -39.04 145.44 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.63 162.63 52.51 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.51 16.22 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -172.79 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.451 1.764 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 62.9 63.09 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.1 p -178.85 64.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.0 mp -41.93 116.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.546 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 2.9 m80 59.5 -179.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . 74.02 134.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 36' ' ' LEU . 6.5 tp -122.91 -136.1 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.65 51.57 0.54 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 36' ' ' LEU . 5.1 mp -66.64 -37.91 85.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -83.28 -6.01 59.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.84 -76.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.643 HD12 ' CZ ' ' A' ' 48' ' ' PHE . 1.6 mm? -57.31 -36.29 70.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -96.64 57.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.6 175.1 28.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.43 9.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.441 1.759 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -60.45 -32.99 71.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.619 HG21 HD13 ' A' ' 41' ' ' LEU . 6.7 mt -114.4 141.15 31.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.594 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 17.7 m -107.87 139.48 42.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.643 ' CZ ' HD12 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -116.74 122.34 44.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.594 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 17.4 m-90 -105.96 135.1 48.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 108.021 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 m -134.64 138.38 44.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.84 ' C ' ' HB3' ' A' ' 58' ' ' ALA . . . -104.67 134.96 46.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.859 ' CH2' HG23 ' A' ' 13' ' ' VAL . 6.6 m95 -117.64 129.52 55.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.595 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 2.1 tt0 -135.47 76.75 1.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.9 -130.15 9.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.53 3.83 27.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -123.63 -177.27 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 13' ' ' VAL . 1.1 mt -76.33 149.61 37.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.84 ' HB3' ' C ' ' A' ' 51' ' ' ALA . . . -111.12 -18.17 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.73 ' HA2' HG21 ' A' ' 78' ' ' THR . . . 152.16 160.37 9.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -136.27 137.45 40.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -138.44 153.95 22.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.518 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . . . -143.34 152.09 41.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.554 ' HG ' ' CH2' ' A' ' 49' ' ' TRP . 1.5 pp -157.59 120.79 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HG3' HD11 ' A' ' 46' ' ' ILE . 8.6 ttpt -99.1 126.77 44.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -41.11 150.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.489 HD13 ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -140.09 -87.91 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -117.02 -175.11 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 t -70.55 -27.29 64.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -136.45 30.5 2.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -135.09 137.14 42.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.578 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.14 165.49 26.62 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.489 ' HG3' HD13 ' A' ' 66' ' ' LEU . 5.1 mt-10 -145.5 148.95 33.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.564 HD11 ' CD2' ' A' ' 107' ' ' LEU . 3.2 mp -118.13 139.27 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.06 47.12 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.13 118.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.537 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -159.25 57.87 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.32 150.65 30.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.73 HG21 ' HA2' ' A' ' 59' ' ' GLY . 15.1 t -173.79 158.79 3.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 p 60.65 152.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.22 52.11 2.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.03 29.09 5.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.96 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -90.31 -7.45 53.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mt -116.53 150.64 37.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -101.89 97.08 7.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 48.58 -173.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.46 -61.02 1.51 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.744 HG12 ' O ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -45.89 -57.05 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.537 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -55.65 -39.04 70.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -48.82 72.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.439 ' HB3' HD11 ' A' ' 3' ' ' ILE . 4.4 mm100 -56.97 -50.31 73.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.462 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 59.9 t -61.23 -54.81 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.814 HD22 HD12 ' A' ' 123' ' ' LEU . 5.8 tp -48.36 -50.87 28.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -43.56 73.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.652 ' CG ' HG21 ' A' ' 3' ' ' ILE . 9.2 t-160 -64.88 -39.56 93.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.646 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.0 mm -57.3 -53.78 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.478 HD12 ' CE1' ' A' ' 127' ' ' PHE . 48.1 mt -60.76 -50.25 81.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -46.4 78.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -59.32 -46.92 87.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.73 -31.06 68.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -59.04 -33.98 71.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -52.68 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -53.57 -40.79 65.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.03 61.18 0.95 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.48 1.113 . . . . 0.0 111.054 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 102' ' ' ARG . 56.5 m-85 -97.91 165.81 11.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.747 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.8 12.16 2.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.27 136.98 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.761 HD12 HD11 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -138.36 139.79 39.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.533 ' O ' HD12 ' A' ' 73' ' ' ILE . 59.6 p -109.67 169.13 8.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.954 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.932 HD23 ' CE1' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -160.11 168.83 24.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.832 ' N ' HD12 ' A' ' 109' ' ' LEU . 1.2 pm0 -104.96 107.38 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.639 ' HB ' HD11 ' A' ' 109' ' ' LEU . 1.6 m -157.51 125.58 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.607 ' HA2' HG22 ' A' ' 145' ' ' VAL . . . -153.49 28.51 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 1.3 m 90.58 -14.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 110.043 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.558 ' HG2' ' CD2' ' A' ' 117' ' ' PHE . 1.6 tpt -36.08 117.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.31 -48.81 65.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -22.51 6.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.558 ' CD2' ' HG2' ' A' ' 114' ' ' MET . 25.1 m-85 -124.96 31.19 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.3 mt-10 -61.67 -50.29 82.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.98 -21.85 15.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.502 1.79 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.94 -46.87 61.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.408 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 13.2 ttp-105 -66.22 -41.68 89.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -33.31 69.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.366 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.814 HD12 HD22 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -72.23 -38.05 69.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.882 ' CE1' HD13 ' A' ' 109' ' ' LEU . 7.1 m-85 -71.52 -50.46 31.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.465 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 28.9 mt-10 -55.21 -25.05 30.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -21.47 61.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.798 ' CD2' HD23 ' A' ' 92' ' ' LEU . 2.4 m-85 -91.56 -17.12 26.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 117.24 -8.12 16.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.932 ' CE1' HD23 ' A' ' 109' ' ' LEU . 3.5 m-85 -38.21 134.44 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -124.59 166.87 15.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -80.02 137.71 36.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.483 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 0.1 OUTLIER -160.87 -164.71 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.266 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 132' ' ' CYS . 1.9 mp0 -38.64 123.4 1.16 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.99 164.61 33.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.812 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -176.1 -69.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 111.058 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . 39.64 -153.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -93.09 14.97 16.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -144.11 -147.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -140.01 163.89 26.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.97 165.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -177.03 166.6 1.36 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -8.92 20.55 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.444 1.76 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -139.72 69.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.31 178.58 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.607 HG22 ' HA2' ' A' ' 112' ' ' GLY . 5.7 m -150.72 171.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 134' ' ' PRO . 0.7 OUTLIER -146.87 165.48 29.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.956 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.549 ' HB3' HD21 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -158.16 144.53 17.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 132' ' ' CYS . 0.7 OUTLIER -139.06 148.57 43.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.411 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 9.1 tmtm? -105.91 124.03 48.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.16 103.55 13.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.761 HD11 HD12 ' A' ' 107' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.8 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.524 0.202 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.34 111.75 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.634 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.577 HD13 ' CB ' ' A' ' 51' ' ' ALA . 12.0 mm -116.5 136.4 53.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.81 176.74 8.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.517 HG12 ' CD1' ' A' ' 49' ' ' TRP . 41.1 mt -112.94 130.83 66.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -131.93 140.2 48.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.41 103.06 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.59 -173.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 63.92 144.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 100.48 117.41 4.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -55.64 31.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -66.93 -32.11 73.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.5 -49.66 68.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 10' ' ' GLY . 72.5 t -69.94 -49.08 59.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -51.43 -33.08 29.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.881 HD21 ' O ' ' A' ' 77' ' ' ARG . 3.0 tm? -67.92 -42.91 80.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.873 HG22 ' CZ ' ' A' ' 48' ' ' PHE . 75.4 t -67.07 -44.06 88.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.68 -70.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 169.16 99.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -96.68 -51.11 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.597 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -71.09 -36.85 72.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -90.92 131.92 36.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.623 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 t -92.51 -173.98 3.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.9 99.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.9 t -89.92 143.72 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.408 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 pp -44.49 143.5 1.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.1 ttt -54.76 140.9 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 m -69.09 136.57 89.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.04 27.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 111.018 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -174.89 2.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.803 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -39.31 -59.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 m 175.13 83.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -159.21 39.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -143.43 -69.35 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.597 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 45.15 86.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 tp -43.81 -44.3 6.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.06 59.21 0.62 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.69 -100.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 41.84 52.45 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -143.37 -71.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.64 ' HA ' HG21 ' A' ' 46' ' ' ILE . 4.8 mp -82.68 51.95 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 178.07 69.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.21 177.71 37.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 53.96 3.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.47 -41.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.808 HD13 ' HB2' ' A' ' 64' ' ' LYS . 1.4 mm -90.0 135.54 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.504 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 38.2 m -129.34 134.6 47.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.391 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.873 ' CZ ' HG22 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -108.56 120.2 41.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CD1' ' CD2' ' A' ' 94' ' ' HIS . 12.2 m-90 -91.38 132.72 36.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.0 m -122.3 129.85 52.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.701 ' C ' ' HB3' ' A' ' 58' ' ' ALA . . . -99.37 134.55 42.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.535 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 4.0 m95 -123.51 131.94 53.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.008 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.443 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 11.8 tt0 -142.82 76.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.31 -132.47 11.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.04 17.48 24.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -137.3 139.52 40.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.535 HD21 ' CZ3' ' A' ' 52' ' ' TRP . 2.8 mm? -53.65 123.97 13.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.701 ' HB3' ' C ' ' A' ' 51' ' ' ALA . . . -77.22 -15.15 59.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.474 ' CA ' HG13 ' A' ' 87' ' ' VAL . . . 143.57 171.63 13.93 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.438 1.086 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.549 ' HB2' HD12 ' A' ' 16' ' ' LEU . 87.4 m -149.71 157.0 42.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -177.49 152.8 12.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 74' ' ' LYS . . . -107.23 157.58 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.444 HD23 ' CH2' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -154.51 114.89 3.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.808 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -126.45 129.29 48.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -48.01 156.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 72' ' ' GLU . 3.3 mt -129.9 -65.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.28 -168.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -61.37 -42.39 98.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.0 mtt-85 -134.94 36.58 3.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -137.22 135.21 37.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.22 175.11 21.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' HB2' HD12 ' A' ' 66' ' ' LEU . 41.5 tt0 -148.74 159.59 43.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.754 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 73' ' ' ILE . 1.8 mp -109.97 137.59 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 62' ' ' ALA . 8.0 mmpt? -121.63 144.52 48.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 74' ' ' LYS . 58.3 m 42.04 92.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.32 98.05 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.881 ' O ' HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -136.78 138.55 41.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 t -80.41 -175.13 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.3 t -118.45 153.46 34.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.47 ' HB2' HD22 ' A' ' 21' ' ' LEU . . . -95.1 60.38 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.846 ' OG ' HD12 ' A' ' 83' ' ' LEU . 21.6 p -98.1 24.78 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 21.3 m170 65.77 47.64 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.61 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.846 HD12 ' OG ' ' A' ' 81' ' ' SER . 11.0 mt -116.62 159.12 22.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -126.41 105.79 9.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.53 ' HG3' HD23 ' A' ' 123' ' ' LEU . 0.0 OUTLIER 44.32 90.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.43 -62.24 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.627 HG23 HD13 ' A' ' 83' ' ' LEU . 3.2 t -46.87 -61.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.52 -31.43 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -42.36 89.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -48.98 77.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.97 -55.1 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.699 HD13 ' O ' ' A' ' 92' ' ' LEU . 0.6 OUTLIER -48.06 -37.17 14.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -41.86 94.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.574 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 33.7 t60 -73.41 -27.02 61.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.42 -47.23 93.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.698 ' CD1' ' CE2' ' A' ' 127' ' ' PHE . 34.3 mt -67.9 -38.64 80.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -45.97 72.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -56.38 -47.66 78.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.629 ' CB ' HD11 ' A' ' 107' ' ' LEU . . . -69.8 -32.82 71.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.76 -38.74 73.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -15.36 61.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.25 -43.08 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.6 44.47 1.14 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.537 ' O ' HD22 ' A' ' 151' ' ' LEU . 3.5 m-30 -95.37 168.82 10.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.48 10.75 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -163.15 160.23 23.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.629 HD11 ' CB ' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -152.72 135.4 15.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.5 p -114.49 167.74 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.658 ' C ' HD12 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -170.26 166.4 8.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.626 ' N ' HD12 ' A' ' 109' ' ' LEU . 1.9 pt-20 -103.42 131.63 50.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.486 ' HB ' HD11 ' A' ' 109' ' ' LEU . 1.4 t -163.34 -178.89 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.785 ' HA2' HG22 ' A' ' 145' ' ' VAL . . . -175.95 -142.97 4.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 p -116.86 0.19 12.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 0.0 109.999 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.564 ' HB3' ' CD2' ' A' ' 117' ' ' PHE . 4.5 tpt -58.74 146.64 36.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.91 -29.37 28.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.6 t -76.53 -30.71 57.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.055 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 11.6 m-85 -105.03 14.67 28.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER -75.08 -53.07 2.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.93 -44.54 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.588 ' O ' ' CD1' ' A' ' 124' ' ' TYR . . . -52.04 -34.87 45.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -79.64 -33.27 41.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.424 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 0.3 OUTLIER -75.08 -26.77 59.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.65 HD13 ' C ' ' A' ' 123' ' ' LEU . 2.3 tm? -76.85 -36.43 56.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 120' ' ' ALA . 7.5 m-85 -70.35 -51.69 28.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.424 ' CG ' ' HA ' ' A' ' 122' ' ' LYS . 0.2 OUTLIER -59.68 -27.01 66.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -18.7 60.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.055 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.698 ' CE2' ' CD1' ' A' ' 96' ' ' ILE . 1.4 t80 -99.28 -17.21 18.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 133.83 -34.87 2.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 10.1 m-85 -33.87 135.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -120.27 153.56 36.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.491 ' HA ' ' O ' ' A' ' 146' ' ' PHE . 5.8 p90 -108.71 107.05 17.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 133' ' ' GLU . 59.3 m -101.87 -164.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 132' ' ' CYS . 2.5 pt-20 -37.09 149.77 0.16 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 159.61 41.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.588 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 3.1 t80 -172.8 -86.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.588 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 40.67 -101.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -137.87 29.56 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -151.53 -173.05 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 111.007 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -118.29 -169.97 14.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -50.28 156.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 110.318 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.1 159.35 3.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -10.38 21.21 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -148.17 69.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 34.3 m -166.47 139.05 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.785 HG22 ' HA2' ' A' ' 112' ' ' GLY . 22.0 m -149.08 -171.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 131' ' ' TYR . 79.0 t80 -153.55 132.31 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.26 138.17 40.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 7.2 t -139.96 133.29 29.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -101.3 132.15 46.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.245 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.84 110.8 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.537 HD22 ' O ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.42 ' HG2' ' NE2' ' A' ' 90' ' ' GLN . 3.5 mtt . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.483 0.182 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 109.08 0.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.776 HD13 ' CB ' ' A' ' 51' ' ' ALA . 24.9 mm -118.82 136.9 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -146.79 178.37 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.556 HG12 ' CD1' ' A' ' 49' ' ' TRP . 38.2 mt -108.06 133.16 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.536 ' OD2' HG11 ' A' ' 13' ' ' VAL . 26.9 t70 -95.17 118.76 32.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -125.09 100.95 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 55.64 168.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 10' ' ' GLY . 0.5 OUTLIER 64.68 168.14 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 9' ' ' THR . . . 100.59 92.2 2.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -50.07 72.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.16 -45.06 94.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.921 HG22 HD11 ' A' ' 57' ' ' LEU . 50.4 t -58.27 -54.38 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.3 t -61.27 -48.2 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -55.8 -36.82 67.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.52 -46.77 68.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.612 HG21 ' CZ ' ' A' ' 48' ' ' PHE . 54.2 t -64.41 -31.92 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -68.05 -64.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' OE2' ' CB ' ' A' ' 23' ' ' SER . 2.8 pt-20 178.94 106.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -96.61 -58.89 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.608 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 mp -76.37 -61.08 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -142.97 178.46 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.577 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.441 ' CB ' ' OE2' ' A' ' 19' ' ' GLU . 85.5 p -123.93 129.54 51.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -178.74 129.37 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.5 m -154.07 68.42 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 110.381 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 26' ' ' LEU . 5.0 mp 48.7 -175.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -118.33 172.62 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.2 p -127.65 143.98 49.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.951 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.42 18.35 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 105.27 2.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 176.09 -54.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.8 m -86.65 82.98 7.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.1 tt -79.36 0.34 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.616 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 3.0 p-80 -175.26 149.62 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.593 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . 78.72 78.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.8 tp -42.93 -58.86 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.3 51.7 0.62 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mp -59.15 -83.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 40.56 62.02 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.804 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -168.22 -71.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -87.69 46.74 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -170.72 75.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.249 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 174.47 166.02 31.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.44 1.087 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 53.59 3.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.778 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -138.94 -45.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.804 HD12 ' O ' ' A' ' 40' ' ' LYS . 7.6 mt -93.36 144.98 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.544 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 13.0 m -113.35 142.86 45.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.437 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.612 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -117.64 123.4 46.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.71 ' CH2' HD23 ' A' ' 63' ' ' LEU . 18.6 m-90 -100.44 151.98 20.91 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.1 m -165.08 145.44 7.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.776 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -103.89 166.09 10.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.478 ' HZ3' HD21 ' A' ' 57' ' ' LEU . 3.1 m95 -143.81 117.74 9.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 108.016 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.591 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 2.7 tt0 -131.64 76.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.88 -129.94 8.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.76 10.8 24.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -130.15 161.84 30.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.921 HD11 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -68.19 121.23 15.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HB2' ' N ' ' A' ' 53' ' ' GLU . . . -78.94 -9.46 59.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.587 ' HA3' HG23 ' A' ' 91' ' ' VAL . . . 152.54 149.58 5.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.544 1.152 . . . . 0.0 110.966 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.611 ' N ' HG21 ' A' ' 91' ' ' VAL . 25.2 p -147.1 158.92 44.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.425 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . -179.1 163.4 30.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.46 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . . . -118.19 144.52 45.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.71 HD23 ' CH2' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -146.27 114.58 6.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HG2' ' CE ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -97.86 151.18 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.79 124.05 28.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.06 -53.8 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 70' ' ' HIS . 3.8 m-20 -145.71 -178.47 6.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.3 t -64.54 -18.09 64.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -144.94 45.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.472 ' CB ' ' OD1' ' A' ' 67' ' ' ASP . 3.0 t-160 -146.44 147.47 31.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.579 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -158.68 135.74 4.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.461 ' O ' ' CE ' ' A' ' 74' ' ' LYS . 7.8 tt0 -127.43 132.41 50.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.764 HG12 HD13 ' A' ' 95' ' ' ILE . 4.0 mp -98.61 145.86 9.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.461 ' CE ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -140.29 59.96 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 t 177.72 155.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.608 ' SD ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 172.91 79.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -121.86 103.85 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.668 HG23 ' HB ' ' A' ' 87' ' ' VAL . 5.3 m -75.36 -97.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.536 ' N ' HG22 ' A' ' 78' ' ' THR . 0.3 OUTLIER -157.72 163.83 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.02 -62.82 0.76 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 p -170.44 37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -74.5 -114.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.623 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.15 152.64 36.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 mmm-85 -106.13 123.3 47.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 40.79 87.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.4 -58.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.668 ' HB ' HG23 ' A' ' 78' ' ' THR . 2.8 t -53.46 -59.43 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.618 ' HB2' ' OG1' ' A' ' 78' ' ' THR . . . -60.31 -35.84 76.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -60.63 -39.55 88.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.42 ' NE2' ' HG2' ' A' ' 1' ' ' MET . 6.0 mt-30 -57.44 -40.92 79.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.611 HG21 ' N ' ' A' ' 60' ' ' CYS . 25.2 t -74.84 -51.05 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.868 HD23 ' CD1' ' A' ' 127' ' ' PHE . 8.0 tp -51.58 -53.89 33.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -30.23 70.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.604 ' CD2' HG23 ' A' ' 3' ' ' ILE . 1.2 t60 -68.92 -57.86 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.631 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.764 HD13 HG12 ' A' ' 73' ' ' ILE . 12.6 mt -53.3 -46.56 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.07 -37.9 64.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -43.31 87.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.03 -47.6 85.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.42 ' HB1' ' CG ' ' A' ' 104' ' ' TYR . . . -69.52 -32.91 72.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.03 -52.25 65.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -53.0 58.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -38.97 93.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . 87.51 75.46 1.28 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.42 ' CG ' ' HB1' ' A' ' 99' ' ' ALA . 3.6 m-85 -83.49 -172.29 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -110.09 -35.16 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -162.97 157.66 21.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.4 mt -117.75 134.08 55.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.481 ' O ' HD12 ' A' ' 73' ' ' ILE . 11.7 m -101.92 166.93 10.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.075 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.978 HD23 ' CE2' ' A' ' 129' ' ' PHE . 4.5 pp -147.43 163.05 37.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.94 103.84 13.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.521 ' O ' ' CZ ' ' A' ' 138' ' ' TYR . 15.1 t -152.73 149.57 28.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . -164.62 28.51 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 1.4 m 91.01 -16.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.7 tpt -38.9 127.16 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.72 75.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.152 . . . . 0.0 109.362 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.87 -21.25 2.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -124.77 29.93 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 6.3 mt-10 -68.65 -50.54 24.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 110.254 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.98 -20.33 17.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.18 90.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.534 ' HA ' ' CD1' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -67.68 -37.74 82.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -31.59 72.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -30.35 58.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.624 ' CD1' HD22 ' A' ' 109' ' ' LEU . 18.9 m-30 -73.07 -50.1 24.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.93 -28.14 67.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.219 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -30.82 48.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.955 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.868 ' CD1' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -82.18 -17.0 47.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.44 82.27 1.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.978 ' CE2' HD23 ' A' ' 109' ' ' LEU . 2.3 m-85 -143.51 135.66 26.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 110.978 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -121.88 151.71 40.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -57.23 140.58 49.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.415 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 1.5 m -161.89 177.14 10.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 108.289 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -56.14 142.22 67.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 114.69 4.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.791 . . . . 0.0 111.037 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -92.87 -33.31 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -44.72 -90.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -154.83 -61.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.521 ' CZ ' ' O ' ' A' ' 111' ' ' THR . 2.8 p90 -44.21 159.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -126.02 -162.12 11.17 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -57.89 163.62 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 167.05 172.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -22.19 15.15 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.47 1.774 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -131.12 59.14 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 31.0 t -144.09 135.04 25.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 10.3 m -134.83 153.84 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 132' ' ' CYS . 0.4 OUTLIER -157.87 148.26 20.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.542 ' CG ' HD21 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -158.54 160.06 36.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.7 t -136.22 155.17 50.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -102.72 132.03 49.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -96.52 117.74 31.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.49 0.186 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.18 108.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.592 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.62 HG21 ' CG ' ' A' ' 94' ' ' HIS . 17.3 mm -119.73 137.28 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.56 176.65 8.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.522 HG12 ' CD1' ' A' ' 49' ' ' TRP . 31.1 mt -108.97 134.52 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 9' ' ' THR . 7.6 t70 -116.5 143.99 44.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -125.22 100.56 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 7' ' ' ASP . 1.0 OUTLIER 39.18 62.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.4 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 1.2 m -160.95 160.9 31.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 99.18 115.07 3.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mmt-85 -63.52 -56.23 17.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -60.88 -45.09 95.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.373 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.601 HG13 ' CB ' ' A' ' 60' ' ' CYS . 7.2 t -61.2 -39.82 83.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 10' ' ' GLY . 9.3 t -72.63 -50.78 31.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -41.39 57.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.686 HD12 ' O ' ' A' ' 77' ' ' ARG . 1.4 mm? -58.63 -44.38 90.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 13' ' ' VAL . 97.7 t -63.43 -49.66 81.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -61.94 -14.54 35.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 55.76 72.52 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -75.25 -44.69 44.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.612 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.837 HD13 ' HB3' ' A' ' 79' ' ' SER . 3.3 pp -62.15 -52.35 64.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.593 ' N ' HD12 ' A' ' 21' ' ' LEU . 14.8 t60 47.74 -173.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.409 ' H ' ' CD2' ' A' ' 22' ' ' HIS . 0.6 OUTLIER -116.65 -179.29 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -86.41 56.51 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.7 t -149.66 138.46 21.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 pp -167.49 109.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.5 tpt -179.15 -59.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.01 102.16 0.27 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.052 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.4 Cg_endo -74.92 147.26 34.04 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.487 1.783 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 29' ' ' PRO . 18.3 Cg_endo -74.98 -178.15 3.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -79.86 -57.18 3.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.86 175.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' HIS . 22.6 mm -101.8 126.34 55.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' ILE . 4.4 m170 39.42 59.06 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -174.89 123.35 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.6 tp -44.15 -54.6 5.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.08 55.94 0.47 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.453 ' H ' HD12 ' A' ' 38' ' ' LEU . 5.1 mp -74.09 -77.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 0.796 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 42.08 56.81 3.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.78 -67.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 mp -51.26 -39.55 56.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -80.03 56.1 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.01 174.46 21.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.153 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.428 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -75.0 166.43 29.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 44' ' ' PRO . 15.4 pt-20 43.3 54.99 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.555 HD13 ' HB2' ' A' ' 64' ' ' LYS . 6.7 mm -111.75 133.77 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.59 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 51.9 m -134.38 140.16 46.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -119.28 123.45 44.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 19.0 m-90 -100.32 149.29 23.76 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.9 p -144.84 151.41 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.579 ' CB ' ' CD1' ' A' ' 3' ' ' ILE . . . -113.52 149.06 34.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.557 ' CH2' ' CG2' ' A' ' 13' ' ' VAL . 14.3 m95 -143.17 116.65 9.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 108.059 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -129.8 76.64 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.84 -130.06 6.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.71 -4.97 21.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -127.81 154.84 44.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.548 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -53.16 154.1 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 87' ' ' VAL . . . -115.35 4.71 14.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.91 154.16 6.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.601 ' CB ' HG13 ' A' ' 13' ' ' VAL . 21.7 p -145.39 155.94 43.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . 172.13 167.49 32.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.568 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . . . -116.01 172.52 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.97 HD12 HG23 ' A' ' 95' ' ' ILE . 1.7 tt -163.59 118.23 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.555 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -126.3 132.05 51.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -52.57 155.57 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.45 -58.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -135.2 -169.82 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.4 t -61.19 -39.17 89.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 69' ' ' ARG . 20.1 mtm105 -137.17 42.75 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.412 ' NE2' ' OG ' ' A' ' 108' ' ' SER . 8.8 t-80 -146.08 133.06 20.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.548 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -140.28 172.02 23.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -150.1 150.94 32.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.589 HG12 HG21 ' A' ' 95' ' ' ILE . 3.8 mp -109.78 141.48 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.53 -106.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.9 m -47.65 131.74 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.572 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 176.55 83.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.686 ' O ' HD12 ' A' ' 16' ' ' LEU . 20.5 mtt180 -144.22 153.37 41.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 m -163.95 149.86 11.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.837 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.1 OUTLIER 172.1 -156.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HB2' ' CB ' ' A' ' 21' ' ' LEU . . . 68.76 -168.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.7 p -74.87 63.94 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -137.26 -178.76 5.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.1 . . . . 0.0 109.589 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.8 143.73 55.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.44 157.18 34.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 mptt 41.09 88.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.501 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 149.46 -48.9 0.58 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 88' ' ' ALA . 1.1 t -54.4 -61.11 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.572 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -67.64 -38.45 83.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.491 ' HG3' HD11 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -58.85 -35.2 72.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 2.0 mm-40 -63.33 -44.91 93.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.5 t -68.09 -52.83 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.4 tp -48.21 -51.14 26.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -36.94 65.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.62 ' CG ' HG21 ' A' ' 3' ' ' ILE . 3.5 t-80 -68.31 -55.49 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.97 HG23 HD12 ' A' ' 63' ' ' LEU . 58.5 mt -53.24 -45.45 55.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.583 HD13 ' CE2' ' A' ' 127' ' ' PHE . 96.4 mt -58.33 -47.61 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -43.49 98.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.53 -49.91 71.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.497 ' HB1' ' CD1' ' A' ' 104' ' ' TYR . . . -66.73 -34.89 78.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -47.04 88.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -50.53 65.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -42.45 41.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.67 53.86 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.497 ' CD1' ' HB1' ' A' ' 99' ' ' ALA . 3.4 m-85 -94.51 163.65 13.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.772 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -139.18 13.21 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.418 ' N ' ' CD1' ' A' ' 151' ' ' LEU . 0.0 OUTLIER -162.82 154.69 18.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.546 HD12 HD21 ' A' ' 151' ' ' LEU . 0.9 OUTLIER -153.33 122.02 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.412 ' OG ' ' NE2' ' A' ' 70' ' ' HIS . 66.1 p -119.6 164.19 16.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.592 ' O ' ' CE2' ' A' ' 146' ' ' PHE . 1.1 pp -174.46 160.39 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.439 ' N ' HD12 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -93.84 124.04 37.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 111' ' ' THR . 7.7 t -172.22 99.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.588 ' C ' HG22 ' A' ' 145' ' ' VAL . . . -83.0 -113.9 0.52 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.7 p -153.93 40.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 109.99 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.61 ' HE3' ' HA ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -80.4 145.41 32.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.73 -27.3 17.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.4 t -70.58 -38.49 74.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -120.92 40.4 3.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 2.6 mt-10 -72.89 -50.55 6.98 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -75.03 -21.22 16.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.63 -50.2 73.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 45.9 ptt85 -69.42 -33.31 72.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -69.99 -24.99 63.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.491 HD11 ' HG3' ' A' ' 89' ' ' LYS . 17.6 tp -76.49 -29.25 56.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.415 ' C ' ' HB2' ' A' ' 129' ' ' PHE . 14.0 m-30 -72.88 -52.31 15.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.469 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.2 pp20? -58.57 -26.88 64.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.27 -11.34 59.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.973 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.583 ' CE2' HD13 ' A' ' 96' ' ' ILE . 23.6 t80 -99.47 -17.49 17.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 135.73 -33.78 2.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 11.9 m-85 -34.75 151.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.93 150.82 49.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.598 ' CE2' ' SD ' ' A' ' 147' ' ' MET . 29.5 m-85 -92.35 96.55 10.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 133' ' ' GLU . 2.7 m -145.69 141.29 27.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 108.335 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 132' ' ' CYS . 1.3 tt0 57.14 115.14 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.96 178.7 6.9 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.794 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.631 ' CB ' ' CD2' ' A' ' 146' ' ' PHE . 0.1 OUTLIER 173.01 -164.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 135' ' ' PHE . . . 70.3 -63.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 135' ' ' PHE . 0.2 OUTLIER -93.75 5.62 51.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 137' ' ' ASP . 62.6 m-85 57.51 152.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 49.64 179.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.15 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.08 177.98 8.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 174.73 155.31 0.33 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -36.62 2.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.555 1.818 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -114.9 55.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.43 133.4 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.588 HG22 ' C ' ' A' ' 112' ' ' GLY . 11.7 m -146.74 -173.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.631 ' CD2' ' CB ' ' A' ' 135' ' ' PHE . 81.0 t80 -153.34 167.54 29.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -138.12 146.42 42.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 11.7 t -139.31 150.44 45.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -121.44 138.3 54.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.55 103.51 11.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.546 HD21 HD12 ' A' ' 107' ' ' LEU . 2.0 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.452 ' N ' ' OE2' ' A' ' 53' ' ' GLU . 39.0 mtm . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.428 0.156 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.66 108.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.593 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.713 HG21 ' CG ' ' A' ' 94' ' ' HIS . 15.5 mm -119.41 137.44 53.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.23 176.57 11.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.574 HG12 ' CD1' ' A' ' 49' ' ' TRP . 35.0 mt -111.7 133.6 56.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -127.78 142.14 51.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -124.75 101.19 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 40.42 82.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -170.48 128.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.72 116.97 4.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.541 1.15 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.62 -53.84 48.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -65.32 -29.33 70.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.72 HG22 HD11 ' A' ' 57' ' ' LEU . 40.2 t -72.43 -42.21 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.9 t -76.51 -44.06 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.2 t -51.52 -35.69 41.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.88 -43.73 82.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.618 HG21 ' HE2' ' A' ' 48' ' ' PHE . 51.3 t -71.92 -23.94 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -80.14 -59.9 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 179.66 105.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -96.26 -58.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.544 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 70.9 mt -77.04 -61.0 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.08 127.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.61 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 24' ' ' MET . 0.4 OUTLIER -74.1 -70.58 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.967 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.431 ' CB ' ' O ' ' A' ' 23' ' ' SER . 0.2 OUTLIER 76.22 168.86 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 t -105.1 130.0 53.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.22 -179.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.1 ptp -120.8 69.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -126.77 149.11 67.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.947 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.96 40.71 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 112.44 3.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 173.37 46.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.348 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.93 169.08 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' ALA . 3.5 mt -105.16 77.78 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.3 m80 66.99 -73.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.589 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . 64.55 105.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.9 tp -166.45 -99.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.95 34.85 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.86 -74.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.24 -8.82 34.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.778 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -77.4 -73.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.19 53.68 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.59 78.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 169.19 166.19 27.82 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 53.32 3.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 46' ' ' ILE . 12.7 pt-20 -139.49 -45.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.778 HD12 ' O ' ' A' ' 40' ' ' LYS . 2.6 mt -94.57 129.91 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.425 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 52.0 m -94.82 140.58 29.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.618 ' HE2' HG21 ' A' ' 17' ' ' VAL . 1.4 m-85 -114.6 124.18 51.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CD1' HG12 ' A' ' 5' ' ' ILE . 16.1 m-90 -96.3 123.12 39.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.014 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -104.62 -176.13 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 110.045 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.663 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -173.28 144.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -128.75 127.24 41.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 107.988 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.71 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 4.6 tp10 -132.4 79.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.148 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.61 -133.28 11.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -106.97 21.2 17.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -135.86 137.62 41.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.72 HD11 HG22 ' A' ' 13' ' ' VAL . 3.0 mm? -50.85 107.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.737 ' O ' HG22 ' A' ' 87' ' ' VAL . . . -57.47 -32.83 67.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.464 ' HA3' HG13 ' A' ' 87' ' ' VAL . . . 136.73 175.15 13.64 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.6 p -160.69 149.57 16.76 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.82 177.96 26.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.413 ' HB2' ' CD1' ' A' ' 48' ' ' PHE . . . -148.9 170.12 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.745 ' O ' HD12 ' A' ' 63' ' ' LEU . 4.1 pp -157.59 125.88 5.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -92.13 151.9 20.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.02 109.34 18.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.756 HD13 ' HG2' ' A' ' 72' ' ' GLU . 1.0 OUTLIER -89.24 -76.97 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.9 -176.54 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -75.21 -23.64 57.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' O ' ' CD1' ' A' ' 104' ' ' TYR . 4.8 mtt180 -116.93 -36.56 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -89.07 154.14 20.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.643 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.34 -169.91 15.73 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.756 ' HG2' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -151.69 148.87 28.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 0.791 . . . . 0.0 110.324 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.661 HD11 HD22 ' A' ' 107' ' ' LEU . 3.4 mp -122.44 119.7 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.12 164.26 21.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.553 ' O ' ' CB ' ' A' ' 76' ' ' MET . 0.1 OUTLIER 73.93 165.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.553 ' CB ' ' O ' ' A' ' 75' ' ' SER . 6.1 tmm? 84.82 123.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -150.32 147.87 28.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.4 m -71.51 145.43 49.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.6 m -90.11 -174.06 4.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.69 176.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.33 47.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -147.9 55.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.596 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.537 HD21 HG23 ' A' ' 87' ' ' VAL . 7.7 tt -133.27 157.14 46.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -102.41 131.77 48.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.52 158.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.03 118.11 4.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 58' ' ' ALA . 2.2 t -75.07 -61.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 92' ' ' LEU . . . -59.58 -32.44 70.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -62.72 -32.76 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.49 -54.26 12.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.517 HG11 ' HG3' ' A' ' 76' ' ' MET . 63.7 t -66.11 -49.5 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 44.8 tp -46.58 -44.17 17.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -48.99 79.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.713 ' CG ' HG21 ' A' ' 3' ' ' ILE . 12.5 t60 -67.62 -33.41 74.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.433 HG21 HG21 ' A' ' 73' ' ' ILE . 20.0 mm -60.65 -51.06 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.516 HD12 ' CE1' ' A' ' 127' ' ' PHE . 92.2 mt -67.01 -33.33 62.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -43.96 74.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -55.18 -49.56 71.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.482 ' HB2' HD21 ' A' ' 107' ' ' LEU . . . -66.19 -32.39 73.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -33.43 75.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -68.4 -52.93 27.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -39.44 91.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.03 61.54 1.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.418 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 4.3 m-85 -82.8 -178.72 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -93.77 -39.71 10.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -163.21 161.02 24.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.661 HD22 HD11 ' A' ' 73' ' ' ILE . 13.4 mt -109.31 126.31 53.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.478 ' O ' HD12 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -116.72 143.77 45.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.597 ' O ' ' CE1' ' A' ' 146' ' ' PHE . 1.1 pp -160.64 145.77 14.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -79.02 127.37 31.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.434 HG21 ' HB2' ' A' ' 147' ' ' MET . 1.4 t -162.56 64.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.376 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -43.08 -94.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 m -177.72 36.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.51 144.77 41.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.43 -27.02 22.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.3 m -65.58 -41.11 93.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.982 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -121.82 35.58 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.501 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.3 mt-10 -65.36 -51.4 52.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -74.98 -20.93 16.42 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.561 1.821 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.79 -51.01 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.51 ' HA ' ' CD1' ' A' ' 124' ' ' TYR . 22.2 ptt180 -67.02 -32.73 74.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 119' ' ' PRO . 0.8 OUTLIER -71.84 -25.6 62.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 123' ' ' LEU . 3.2 tt -78.14 -26.93 48.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.51 ' CD1' ' HA ' ' A' ' 121' ' ' ARG . 15.7 m-30 -74.38 -52.74 11.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.478 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.0 OUTLIER -55.65 -33.46 64.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -14.69 63.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.516 ' CE1' HD12 ' A' ' 96' ' ' ILE . 2.0 t80 -98.14 -17.27 19.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 134.71 -34.15 2.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 0.5 OUTLIER -35.33 143.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -120.72 153.97 36.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.641 ' CZ ' ' CE ' ' A' ' 147' ' ' MET . 66.6 m-85 -96.05 127.41 42.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.0 p 175.38 155.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 55.67 102.6 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.346 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -74.97 61.5 5.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 146' ' ' PHE . 0.9 OUTLIER -63.43 -159.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 135' ' ' PHE . . . 71.31 158.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' ALA . 0.0 OUTLIER -37.69 -49.59 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.456 ' CD2' ' C ' ' A' ' 138' ' ' TYR . 8.0 p90 -79.46 146.48 32.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -113.8 -151.62 10.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -46.94 163.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.56 165.71 0.53 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.48 18.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 143' ' ' ASN . 7.3 t-20 -148.4 78.67 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.69 129.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.93 154.24 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 109' ' ' LEU . 62.5 t80 -109.13 167.32 10.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.641 ' CE ' ' CZ ' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -134.87 135.38 41.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 4.3 t -139.28 138.08 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -111.45 149.97 30.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -113.56 121.35 43.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 46.1 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.471 ' CB ' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.557 0.218 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.98 119.39 31.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.566 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.493 HG21 ' CG ' ' A' ' 94' ' ' HIS . 1.1 mt -90.84 132.93 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.59 178.03 8.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.538 HG13 ' CD1' ' A' ' 49' ' ' TRP . 3.0 mt -88.69 140.81 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -138.78 122.23 17.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -117.76 114.3 23.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 71.78 -69.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -39.88 104.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.96 104.97 1.66 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -56.79 4.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -59.06 -25.61 63.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 t -73.8 -46.38 47.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -73.11 -47.1 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.3 -39.03 56.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 16' ' ' LEU . 3.4 tm? -63.83 -43.38 96.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.739 HG11 ' CZ ' ' A' ' 48' ' ' PHE . 69.5 t -69.54 -26.71 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -69.2 -12.87 62.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 54.86 89.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -87.01 -55.85 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mp -53.35 -47.54 69.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 23' ' ' SER . 1.7 t-80 -67.96 139.76 56.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.557 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 96.3 p -92.72 138.63 31.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.959 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.15 100.54 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 m -126.02 -62.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.45 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mt 71.45 -72.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptm -173.44 52.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.3 p -171.35 128.79 0.69 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.05 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 171.16 18.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.74 2.99 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.511 1.795 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 178.96 145.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.65 41.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.0 mm -118.88 -4.1 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.424 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 54.7 t-80 -130.86 -63.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.637 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . 67.64 107.54 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 tp -47.44 -56.99 5.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.23 70.86 0.26 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mp -42.06 -88.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 43.95 59.22 3.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -159.02 -63.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.425 HD23 ' CE2' ' A' ' 48' ' ' PHE . 8.0 mp -98.58 52.13 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -172.53 104.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 177.71 162.15 27.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 53.39 3.32 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 175.31 39.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 64' ' ' LYS . 10.6 mm -118.66 131.6 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.599 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 46.1 m -117.78 139.1 51.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.739 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -119.58 128.35 53.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.599 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 16.7 m-90 -103.35 166.54 10.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 107.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.419 ' CA ' ' SG ' ' A' ' 60' ' ' CYS . 22.8 p -142.19 143.14 32.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.15 134.05 55.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.471 ' O ' ' CB ' ' A' ' 1' ' ' MET . 6.1 m95 -124.26 139.01 54.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.56 ' OE2' HD21 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -153.63 75.88 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.67 -129.68 5.26 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.17 -1.5 15.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -131.35 160.3 35.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.918 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -64.02 130.95 46.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.641 ' HB1' HG22 ' A' ' 87' ' ' VAL . . . -78.92 -37.52 39.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.535 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 130.4 -156.97 21.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' CA ' ' A' ' 50' ' ' SER . 0.0 OUTLIER 170.19 -161.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.55 -137.0 2.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.97 158.96 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 49' ' ' TRP . 2.1 tt -164.35 114.91 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 4.5 tttt -121.64 142.15 50.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -74.75 141.33 44.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.744 HD13 ' HG2' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -115.85 -68.03 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.96 -158.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.3 p -79.58 -47.88 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 105' ' ' GLU . 31.9 ptt180 -127.97 32.62 4.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -147.14 126.41 13.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.78 -167.47 11.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.744 ' HG2' HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -148.15 152.4 37.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.784 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.752 HD11 HD22 ' A' ' 107' ' ' LEU . 2.4 mp -117.58 146.18 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -156.74 147.08 21.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.7 OUTLIER 82.85 117.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.983 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.408 ' CE ' HD23 ' A' ' 92' ' ' LEU . 10.9 ttt -160.32 111.07 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 110.962 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.414 ' NH2' ' HB2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.16 134.49 54.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 83.3 m -56.73 -107.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.407 ' HB3' HD13 ' A' ' 83' ' ' LEU . 0.6 OUTLIER 171.63 125.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 40.4 40.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.64 -70.84 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -124.86 137.56 54.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.6 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.809 HD22 HG23 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -142.59 160.14 40.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.665 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -90.73 158.97 16.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.344 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 84' ' ' ARG . 0.4 OUTLIER 82.45 -66.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 127.21 101.71 1.16 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.809 HG23 HD22 ' A' ' 83' ' ' LEU . 2.2 t -74.92 -59.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.62 -31.16 24.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -65.67 -34.27 77.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -71.71 -48.01 50.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.1 t -57.2 -49.11 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.671 HD21 ' CE1' ' A' ' 124' ' ' TYR . 0.2 OUTLIER -55.48 -50.04 70.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -38.09 79.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.493 ' CG ' HG21 ' A' ' 3' ' ' ILE . 2.9 t60 -73.99 -32.61 63.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -44.2 98.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 45.0 mt -70.4 -40.72 77.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.86 -44.42 73.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.518 ' HG3' ' CE2' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -57.75 -50.57 72.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.349 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.4 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . . . -65.84 -31.52 72.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.77 -32.85 74.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.59 -53.02 31.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -41.31 77.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.75 69.55 1.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' A' ' 99' ' ' ALA . 49.5 m-85 -87.96 154.66 20.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 0.721 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -63.86 -44.48 92.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 149' ' ' LYS . 0.0 OUTLIER -161.45 160.27 29.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 73' ' ' ILE . 9.0 mt -108.18 121.51 45.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.7 p -101.02 168.5 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.607 HD22 ' CZ ' ' A' ' 124' ' ' TYR . 0.9 OUTLIER -161.12 178.35 9.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.511 ' HA ' ' HB2' ' A' ' 136' ' ' ALA . 8.3 mt-10 -104.63 113.8 27.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.4 131.57 9.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.84 45.12 0.66 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.547 ' N ' HG22 ' A' ' 145' ' ' VAL . 90.8 p 50.98 51.13 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.541 ' HE3' ' HA ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -100.82 136.28 40.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.56 -29.02 35.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.6 t -72.23 -31.63 66.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -124.24 40.98 3.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.1 tt0 -70.76 -51.0 12.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.98 -19.94 17.39 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.515 ' O ' ' CD2' ' A' ' 124' ' ' TYR . . . -60.74 -51.16 70.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 118' ' ' GLU . 3.4 ptm180 -63.05 -33.83 76.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -71.81 -36.82 70.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.8 tp -75.51 -35.48 60.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.671 ' CE1' HD21 ' A' ' 92' ' ' LEU . 10.8 m-85 -67.71 -52.0 42.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.472 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.3 OUTLIER -61.17 -30.65 70.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.9 t -70.82 -12.71 61.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -95.29 -14.41 23.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.16 -35.13 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 24.6 m-85 -40.15 139.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.99 148.81 50.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.468 ' CE1' ' HB ' ' A' ' 145' ' ' VAL . 7.6 m-85 -60.39 144.44 50.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.9 -176.06 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -39.21 158.68 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.469 ' HA ' ' CG ' ' A' ' 146' ' ' PHE . 18.1 Cg_endo -75.04 175.57 11.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 136' ' ' ALA . 5.2 m-85 -159.28 -41.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.511 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . . . -50.98 -178.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.37 33.55 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.404 ' O ' ' O ' ' A' ' 139' ' ' GLY . 0.9 OUTLIER -111.75 13.86 21.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . 37.84 -157.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -80.07 159.72 26.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 176.34 136.02 0.19 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.29 21.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -113.5 56.48 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.7 m -167.15 149.1 5.97 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.467 1.104 . . . . 0.0 109.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.547 HG22 ' N ' ' A' ' 113' ' ' SER . 9.1 m -114.48 165.77 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.469 ' CG ' ' HA ' ' A' ' 134' ' ' PRO . 83.5 m-85 -159.66 137.54 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.9 OUTLIER -140.35 146.07 37.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 12.4 t -121.39 154.66 36.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 31.6 tptt -101.3 142.49 32.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -100.33 116.53 32.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.469 0.176 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 109.19 18.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.615 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.95 HG21 ' CG ' ' A' ' 94' ' ' HIS . 34.3 mm -118.82 137.01 54.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -145.26 174.4 11.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.2 mt -105.84 127.24 61.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -116.37 131.09 57.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.89 100.87 7.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 57.62 174.69 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 64.29 151.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.21 102.43 2.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -55.69 31.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -55.25 -34.03 63.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 17' ' ' VAL . 97.1 t -74.86 -45.31 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.08 -52.84 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -50.69 -50.17 55.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.957 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.36 -47.25 82.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 13' ' ' VAL . 24.9 t -55.96 -34.78 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -73.39 -43.97 59.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 61.6 125.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -95.94 -34.2 11.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' A' ' 80' ' ' ALA . 2.7 mp -54.66 -56.5 18.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -114.62 74.4 0.87 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.578 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.9 p -69.48 87.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 175.24 131.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -116.57 127.49 54.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.419 ' O ' ' CG ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -117.04 173.63 6.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -177.57 168.57 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -41.71 159.4 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 114.73 4.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.527 1.804 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.9 13.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -138.62 -154.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.5 m 53.37 172.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -85.08 109.47 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.583 ' O ' ' CD2' ' A' ' 34' ' ' HIS . 25.5 p-80 49.31 93.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.618 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -171.02 128.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' A' ' 36' ' ' LEU . 6.6 tp -119.31 -142.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.17 42.09 1.07 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.05 -30.99 28.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -93.28 56.02 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -131.9 -75.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.528 HD13 HG21 ' A' ' 46' ' ' ILE . 2.2 mm? -55.69 -36.93 67.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -95.12 55.82 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.29 177.32 31.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.54 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -46.22 -43.35 15.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.528 HG21 HD13 ' A' ' 41' ' ' LEU . 5.0 mt -105.81 154.67 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.499 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 32.5 m -130.85 139.25 50.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CZ ' ' O ' ' A' ' 61' ' ' GLY . 2.2 t80 -111.96 118.05 34.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.73 ' CH2' HD22 ' A' ' 63' ' ' LEU . 21.1 m-90 -93.08 138.73 31.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 107.985 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.5 m -139.16 131.94 29.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.814 ' C ' ' HB3' ' A' ' 58' ' ' ALA . . . -94.1 140.58 29.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.459 ' N ' ' HB3' ' A' ' 58' ' ' ALA . 21.0 m95 -124.48 123.59 40.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 107.987 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.668 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 1.1 tp10 -137.04 76.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.07 -127.76 7.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.25 15.45 19.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.83 170.36 16.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.506 HD11 ' HA ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -61.72 145.0 53.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.814 ' HB3' ' C ' ' A' ' 51' ' ' ALA . . . -112.92 -19.32 11.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.632 ' HA2' HG13 ' A' ' 87' ' ' VAL . . . 172.91 136.09 2.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.2 p -133.65 155.62 49.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.562 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . . . 172.26 -164.55 37.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -143.2 162.73 34.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.73 HD22 ' CH2' ' A' ' 49' ' ' TRP . 1.9 tt -160.92 117.38 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' N ' ' HZ1' ' A' ' 74' ' ' LYS . 3.3 tttt -121.51 142.61 49.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 143.39 56.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 66' ' ' LEU . 2.8 mt -119.75 -63.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -137.97 179.47 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 t -52.27 -33.56 42.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -141.95 44.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -139.88 138.89 36.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.572 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.61 161.41 27.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' HB3' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -150.85 151.97 33.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 110.347 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 62' ' ' ALA . 3.2 mp -122.65 143.32 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.455 ' HZ1' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -138.0 46.88 2.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.6 t -171.06 104.81 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.95 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.459 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -136.32 105.45 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -114.27 134.39 54.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.6 m -153.89 152.38 30.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.448 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.6 t 59.93 61.96 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.951 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.453 ' HA ' HD11 ' A' ' 21' ' ' LEU . . . -87.04 81.42 8.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.08 -59.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 174.44 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.561 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 84' ' ' ARG . 19.3 tp -132.32 157.4 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.413 ' N ' ' HG ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -91.13 158.99 16.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.0 mptt 67.99 -177.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . -105.71 127.78 9.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.632 HG13 ' HA2' ' A' ' 59' ' ' GLY . 53.0 t -74.77 -61.05 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.459 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -69.46 -30.21 68.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -48.35 71.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.529 HE21 ' HB1' ' A' ' 58' ' ' ALA . 7.1 mm100 -56.7 -42.21 78.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.4 t -75.34 -53.39 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.722 HD23 ' CD1' ' A' ' 127' ' ' PHE . 31.7 tp -47.55 -46.74 28.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -46.54 72.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.95 ' CG ' HG21 ' A' ' 3' ' ' ILE . 81.0 t60 -69.4 -41.22 76.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.542 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.676 HG23 HD12 ' A' ' 63' ' ' LEU . 13.8 mt -58.97 -47.65 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.64 HG21 ' HE3' ' A' ' 149' ' ' LYS . 53.4 mt -63.93 -34.36 67.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -38.14 72.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -62.64 -47.12 85.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.418 ' HA ' ' CD1' ' A' ' 104' ' ' TYR . . . -70.74 -31.39 68.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.2 -44.61 97.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.167 . . . . 0.0 110.335 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -52.31 65.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.06 -35.92 82.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.6 60.78 2.04 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 12.1 m-85 -69.2 -173.42 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 111.035 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.89 -42.67 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.19 160.67 24.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.713 ' HB2' HD11 ' A' ' 151' ' ' LEU . 5.5 tp -117.99 121.8 41.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.4 ' O ' HD12 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -109.04 168.6 9.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.609 ' O ' ' CE1' ' A' ' 146' ' ' PHE . 1.6 pp -168.27 174.73 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -96.79 134.7 39.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.569 ' HA ' ' CD1' ' A' ' 117' ' ' PHE . 5.9 t -173.67 135.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.452 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 145' ' ' VAL . . . -124.46 -134.2 4.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.2 p -128.09 31.13 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.571 ' HE3' ' HA ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -89.68 175.63 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.64 -27.37 58.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.2 t -77.14 -30.58 55.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.569 ' CD1' ' HA ' ' A' ' 111' ' ' THR . 13.9 m-85 -96.64 -28.4 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.48 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.2 OUTLIER -38.81 -55.94 2.56 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -75.0 -35.81 2.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.554 ' HB3' ' HA ' ' A' ' 117' ' ' PHE . . . -56.87 -49.42 75.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.547 ' HA ' ' CD2' ' A' ' 124' ' ' TYR . 5.0 ttp-105 -65.29 -33.47 76.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -27.41 65.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -28.07 62.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.574 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 23.0 m-30 -75.55 -53.34 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.54 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.9 pp20? -54.33 -27.7 37.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.03 -17.25 47.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.722 ' CD1' HD23 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -99.26 -17.68 17.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.473 ' O ' ' CG ' ' A' ' 149' ' ' LYS . . . 113.34 66.66 0.48 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 9.9 m-85 -133.51 125.71 29.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -97.72 153.85 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 146' ' ' PHE . 22.0 m-85 -72.63 142.08 48.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.45 -171.05 3.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.331 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -69.68 159.83 82.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.97 7.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.799 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.574 ' HB2' ' CE1' ' A' ' 146' ' ' PHE . 0.2 OUTLIER -108.64 -40.64 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -43.39 161.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -41.8 -43.81 3.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -50.18 125.54 12.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -89.64 170.78 37.15 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -43.5 161.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.435 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.2 OUTLIER 179.65 174.46 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 142' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.3 Cg_endo -75.02 1.99 7.14 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -155.53 79.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.23 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 33.6 p -141.45 142.28 33.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 112' ' ' GLY . 14.0 m -146.27 172.18 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.609 ' CE1' ' O ' ' A' ' 109' ' ' LEU . 47.8 t80 -161.78 167.42 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.586 ' O ' ' CE2' ' A' ' 146' ' ' PHE . 3.2 mmt -136.21 146.71 47.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.1 t -139.33 135.64 33.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.64 ' HE3' HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -108.02 130.75 55.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.77 121.76 36.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 107' ' ' LEU . 1.7 mp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mtt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.515 0.198 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 52' ' ' TRP . 42.8 m-70 -60.48 108.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.6 HD13 ' CB ' ' A' ' 51' ' ' ALA . 5.2 mm -119.49 136.94 55.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -143.94 174.57 10.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 48' ' ' PHE . 6.6 mt -105.73 135.94 41.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -106.5 128.72 54.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -125.03 100.92 6.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mp 56.07 167.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 10' ' ' GLY . 0.4 OUTLIER 71.1 170.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.478 ' N ' HG23 ' A' ' 9' ' ' THR . . . 95.65 109.29 2.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -72.95 -56.33 5.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.507 ' O ' HD13 ' A' ' 16' ' ' LEU . 12.4 mp0 -63.4 -29.56 70.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.556 HG22 HD11 ' A' ' 57' ' ' LEU . 50.6 t -74.54 -40.69 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -74.41 -47.11 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.19 -35.48 49.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.649 HD11 ' HA ' ' A' ' 79' ' ' SER . 3.4 mp -67.18 -36.44 81.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.414 HG13 ' OG ' ' A' ' 75' ' ' SER . 71.8 t -72.8 -46.85 51.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -56.02 -36.85 68.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.32 107.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -96.57 -35.09 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.584 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.42 -59.29 5.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -144.65 143.63 30.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.623 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 p -175.51 -57.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 70.27 -67.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.4 t -173.25 148.92 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.424 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.66 45.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -162.48 168.94 21.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 p -123.59 100.24 38.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.15 4.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -167.79 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.39 89.57 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.88 155.28 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.047 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.647 HG23 ' N ' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -59.67 -166.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.647 ' N ' HG23 ' A' ' 33' ' ' ILE . 2.7 m80 -40.76 97.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.59 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -179.69 124.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.815 ' N ' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -112.7 -32.27 6.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.688 ' H ' HD22 ' A' ' 36' ' ' LEU . . . 83.52 74.36 1.22 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.568 ' H ' HD22 ' A' ' 38' ' ' LEU . 2.9 mm? -38.46 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 40.85 65.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.772 ' O ' HD12 ' A' ' 46' ' ' ILE . 7.9 tttt -174.92 -78.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.27 39.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -158.66 75.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 176.38 -177.24 47.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -42.46 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -46.8 -29.89 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.772 HD12 ' O ' ' A' ' 40' ' ' LYS . 3.1 mt -113.97 136.45 50.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.47 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 87.8 m -114.42 136.04 53.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.654 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -117.3 130.3 56.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.003 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.573 ' CD1' HG12 ' A' ' 5' ' ' ILE . 17.6 m-90 -104.38 141.15 36.85 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.7 m -134.22 125.68 28.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.6 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -91.9 130.73 37.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.407 ' CH2' HG21 ' A' ' 13' ' ' VAL . 2.1 m95 -125.14 136.31 53.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 107.955 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 2.1 tp10 -146.16 76.54 1.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.25 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.86 -126.18 7.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.42 8.08 21.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.279 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -127.47 159.98 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.556 HD11 HG22 ' A' ' 13' ' ' VAL . 3.9 mm? -69.47 124.37 23.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HB1' ' NE2' ' A' ' 90' ' ' GLN . . . -88.38 6.89 35.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.715 ' HA2' HG22 ' A' ' 87' ' ' VAL . . . 135.07 159.81 8.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.714 ' C ' HG21 ' A' ' 91' ' ' VAL . 26.5 p -145.99 158.59 43.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.71 ' HA3' HG11 ' A' ' 91' ' ' VAL . . . 170.63 -179.11 42.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.654 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . . . -155.0 175.75 13.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.566 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 1.5 pp -157.79 114.79 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -90.25 141.73 28.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -62.38 152.89 32.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.441 HD12 ' HG2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -134.58 -68.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.461 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -133.23 179.62 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.7 p -60.05 -30.05 68.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -136.3 40.14 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 2.4 t-160 -147.43 140.25 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.542 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -145.81 170.08 27.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' C ' HD13 ' A' ' 73' ' ' ILE . 16.1 pt-20 -134.31 176.79 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.46 HG12 ' CB ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -114.54 113.47 43.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.594 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 3.2 mmpt? -104.67 117.58 34.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.414 ' OG ' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER 65.35 129.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.869 ' HE2' ' HB1' ' A' ' 88' ' ' ALA . 4.5 ttt -172.64 103.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.423 ' O ' HG11 ' A' ' 87' ' ' VAL . 1.8 mpt_? -147.19 159.13 43.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.492 ' HA ' HG11 ' A' ' 87' ' ' VAL . 59.1 m -93.27 148.08 22.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.649 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -42.09 -53.12 4.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.038 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -168.78 34.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.94 33.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -140.48 40.7 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 85' ' ' LYS . 7.3 tt -127.33 156.66 41.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.95 97.09 5.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.424 ' HB2' HD21 ' A' ' 83' ' ' LEU . 0.0 OUTLIER 177.94 -54.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.0 90.81 1.64 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.715 HG22 ' HA2' ' A' ' 59' ' ' GLY . 1.9 t -67.45 -61.22 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.869 ' HB1' ' HE2' ' A' ' 76' ' ' MET . . . -65.21 -32.1 73.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.837 ' HG3' HD21 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -64.75 -47.78 76.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.435 ' NE2' ' HB1' ' A' ' 58' ' ' ALA . 3.8 mm-40 -60.46 -48.65 80.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.714 HG21 ' C ' ' A' ' 60' ' ' CYS . 78.0 t -64.79 -55.22 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.733 HD23 ' CG ' ' A' ' 127' ' ' PHE . 12.2 tp -47.48 -41.99 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -49.03 71.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.594 ' CG ' HG21 ' A' ' 3' ' ' ILE . 3.0 t-160 -67.46 -40.3 85.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.576 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 mt -57.19 -47.77 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.661 HD12 ' CE1' ' A' ' 127' ' ' PHE . 67.4 mt -67.64 -36.12 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -45.23 80.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.29 -47.08 82.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 104' ' ' TYR . . . -69.81 -33.58 72.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.94 -33.7 74.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.04 -50.85 25.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -37.5 85.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.86 67.23 1.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 14.3 m-85 -79.47 -176.79 5.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 0.795 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -114.16 -31.0 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.98 156.59 19.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.65 118.16 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.538 ' OG ' ' CD2' ' A' ' 135' ' ' PHE . 9.5 m -100.82 169.28 9.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.779 HD11 HG22 ' A' ' 111' ' ' THR . 0.4 OUTLIER -164.35 169.89 16.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 110' ' ' GLU . 4.2 pt-20 -100.68 102.91 14.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.779 HG22 HD11 ' A' ' 109' ' ' LEU . 68.1 p -102.08 -133.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.847 ' O ' HG22 ' A' ' 145' ' ' VAL . . . 135.01 -170.04 23.03 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.464 1.103 . . . . 0.0 110.96 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.1 t -114.91 51.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.976 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.563 ' HB2' ' CD2' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -98.13 172.76 7.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.506 ' O ' ' CD ' ' A' ' 119' ' ' PRO . . . -75.78 -39.51 56.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.8 t -77.85 -16.81 58.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 114' ' ' MET . 6.2 m-85 -99.68 -39.26 8.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.509 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.3 OUTLIER -37.49 -57.39 1.48 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -74.97 -27.84 9.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.548 1.815 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 117' ' ' PHE . . . -56.07 -51.64 67.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 122' ' ' LYS . 14.0 ptt180 -59.7 -32.48 70.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.451 ' N ' ' HG2' ' A' ' 121' ' ' ARG . 0.3 OUTLIER -67.14 -28.39 68.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.837 HD21 ' HG3' ' A' ' 89' ' ' LYS . 0.5 OUTLIER -73.16 -42.66 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.567 ' HE2' HD13 ' A' ' 92' ' ' LEU . 7.5 m-85 -63.18 -51.41 66.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.491 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 28.5 mt-10 -50.5 -38.98 47.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.4 t -62.02 -13.22 23.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.039 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.733 ' CG ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -98.36 -17.65 18.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 127.4 -22.82 5.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.684 ' HE1' HD21 ' A' ' 92' ' ' LEU . 12.6 m-85 -36.13 152.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -132.1 162.92 29.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.402 ' O ' ' SG ' ' A' ' 132' ' ' CYS . 0.6 OUTLIER -88.15 145.26 26.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 131' ' ' TYR . 0.9 OUTLIER 177.85 175.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 108.256 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -41.78 151.33 0.32 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.569 ' HG3' ' CE1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -75.0 -166.0 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.472 1.775 . . . . 0.0 110.95 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 134' ' ' PRO . 35.2 m-85 -169.5 -39.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.472 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . . . -38.47 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -173.31 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -68.87 126.78 30.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -103.91 -149.55 20.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.5 161.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.76 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 179.37 158.63 0.72 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -16.35 20.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -152.65 78.78 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.18 133.18 3.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.847 HG22 ' O ' ' A' ' 112' ' ' GLY . 12.5 m -107.06 169.98 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 134' ' ' PRO . 13.5 m-85 -140.12 131.83 27.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 111.073 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.767 ' HB3' HG21 ' A' ' 111' ' ' THR . 1.3 ttm -123.54 148.06 46.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.46 156.99 47.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . 7.9 tmtm? -116.56 137.7 51.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.25 124.39 51.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.51 0.195 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.761 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.1 t60 -164.48 109.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.761 HD12 ' C ' ' A' ' 2' ' ' HIS . 1.6 mp -118.36 136.99 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -127.17 176.52 7.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.7 mt -110.78 110.81 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -109.7 136.44 49.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -121.72 103.33 8.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 43.02 75.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -169.01 143.65 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.45 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.75 114.68 3.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -66.88 -53.99 26.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.5 -32.22 73.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.0 t -73.74 -48.97 37.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 t -67.14 -39.27 82.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -60.03 -44.99 94.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.028 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.749 HD12 ' CG ' ' A' ' 20' ' ' HIS . 1.3 tp -62.96 -44.25 96.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 t -66.32 -23.39 31.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -83.63 -66.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 2.9 pt-20 -177.91 105.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.749 ' CG ' HD12 ' A' ' 16' ' ' LEU . 1.4 t60 -92.49 -57.28 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.576 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.67 HD23 ' CE2' ' A' ' 48' ' ' PHE . 3.6 mp . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -85.75 62.7 7.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.91 -174.45 14.07 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 176.37 10.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 39.09 46.61 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.251 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.637 HG21 ' O ' ' A' ' 41' ' ' LEU . 5.9 mm -130.62 139.2 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.576 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 45.4 m -137.19 131.21 32.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.67 ' CE2' HD23 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.03 124.2 49.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.606 ' CH2' HD22 ' A' ' 63' ' ' LEU . 8.8 m-90 -98.45 130.18 45.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.011 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.424 ' O ' HG23 ' A' ' 3' ' ' ILE . 17.3 m -100.62 157.94 16.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.591 ' HB2' HG22 ' A' ' 91' ' ' VAL . . . -132.51 116.32 16.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.413 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 11.7 m95 -115.6 118.73 33.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 4.6 tt0 -111.34 76.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.74 -131.42 9.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.97 -10.41 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.255 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.88 161.59 19.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.78 ' C ' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -67.53 144.4 55.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.605 ' N ' HD22 ' A' ' 57' ' ' LEU . . . -103.33 -32.33 9.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 163.86 -169.73 38.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.23 -175.11 4.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.39 151.15 11.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.86 153.7 26.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.606 HD22 ' CH2' ' A' ' 49' ' ' TRP . 3.2 tt -155.98 126.68 6.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.87 136.89 51.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.51 144.48 54.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mp -126.27 -67.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.14 -176.53 3.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 t -65.8 -29.44 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -140.21 35.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -133.99 133.39 41.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.598 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.91 155.36 21.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.28 141.03 35.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.722 HG12 HG21 ' A' ' 95' ' ' ILE . 2.9 mp -118.47 144.4 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -150.24 65.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER 165.72 136.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.489 ' CE ' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER 174.97 130.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.459 ' C ' ' HG1' ' A' ' 78' ' ' THR . 7.3 mmt180 -115.74 157.05 24.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.459 ' HG1' ' C ' ' A' ' 77' ' ' ARG . 93.5 m -153.77 159.79 42.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.395 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 78' ' ' THR . 0.6 OUTLIER 80.31 -68.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.026 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 56.69 -155.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.41 -65.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 172.48 72.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.631 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 83' ' ' LEU . 3.5 pp -130.59 150.43 51.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.28 132.87 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 tttt 178.26 -65.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.94 58.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 49.1 t -48.29 -60.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.478 ' HB1' ' HE2' ' A' ' 76' ' ' MET . . . -54.98 -40.97 70.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.752 ' HG3' HD21 ' A' ' 123' ' ' LEU . 5.4 mttt -59.33 -44.55 92.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.72 -50.57 72.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.591 HG22 ' HB2' ' A' ' 51' ' ' ALA . 91.2 t -64.69 -54.95 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.038 HD23 ' CD1' ' A' ' 127' ' ' PHE . 13.2 tp -47.03 -33.03 4.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -43.27 87.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.725 ' CG ' HG21 ' A' ' 3' ' ' ILE . 10.8 t-80 -69.96 -33.14 71.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.722 HG21 HG12 ' A' ' 73' ' ' ILE . 27.6 mm -60.85 -50.87 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.593 HD12 ' CE2' ' A' ' 127' ' ' PHE . 65.9 mt -67.92 -43.16 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.78 -48.09 83.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -54.65 -44.92 73.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 104' ' ' TYR . . . -70.78 -30.86 67.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -46.12 88.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -50.77 72.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -57.61 -42.36 83.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.84 49.68 0.72 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.509 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 3.3 m-85 -89.48 163.06 15.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -136.13 11.31 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.59 150.65 19.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.55 129.82 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.528 ' O ' HD12 ' A' ' 73' ' ' ILE . 15.8 m -100.94 167.23 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.976 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.631 HD12 ' CD2' ' A' ' 124' ' ' TYR . 2.2 pt? -158.15 162.76 37.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.456 ' HA ' ' HB2' ' A' ' 136' ' ' ALA . 11.9 pt-20 -105.05 109.64 21.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.6 p -126.27 -167.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.413 ' O ' HG22 ' A' ' 145' ' ' VAL . . . 166.05 -94.23 0.11 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.405 ' O ' ' OG ' ' A' ' 113' ' ' SER . 21.7 p -179.19 80.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.574 ' CE ' ' HA ' ' A' ' 114' ' ' MET . 0.2 OUTLIER -136.08 173.9 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.14 -36.2 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.34 -25.85 46.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.487 ' HA ' ' HB3' ' A' ' 120' ' ' ALA . 6.1 m-30 -94.96 -32.46 13.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 114' ' ' MET . 0.8 OUTLIER -37.64 -53.84 2.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -75.03 -37.48 1.99 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.81 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 117' ' ' PHE . . . -53.9 -43.52 69.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -64.72 -32.99 74.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -35.62 65.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.752 HD21 ' HG3' ' A' ' 89' ' ' LYS . 2.3 tm? -63.21 -45.52 91.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.631 ' CD2' HD12 ' A' ' 109' ' ' LEU . 34.3 m-85 -63.6 -50.92 67.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.516 ' CG ' ' HE1' ' A' ' 147' ' ' MET . 1.4 mm-40 -58.68 -21.64 55.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.0 t -85.06 -12.34 53.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 1.038 ' CD1' HD23 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -98.5 -17.07 18.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 115.34 55.11 0.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 9.7 m-85 -114.33 131.63 56.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 0.755 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -116.81 150.46 38.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -58.78 148.77 28.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.15 -168.23 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.73 140.73 97.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.495 ' HA ' ' CD1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -75.03 159.34 41.37 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.488 1.783 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.491 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 8.8 t80 -161.43 -88.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 39.79 -156.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -101.76 39.1 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -154.15 -177.44 6.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -115.82 159.47 13.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.56 170.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -171.84 165.61 4.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -22.8 14.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -124.58 62.23 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.0 m -158.07 128.96 6.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.961 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 112' ' ' GLY . 2.8 m -115.69 147.34 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.495 ' CD1' ' HA ' ' A' ' 134' ' ' PRO . 16.9 m-85 -139.0 153.86 48.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.516 ' HE1' ' CG ' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -151.83 174.21 13.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.3 t -139.1 151.25 46.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -98.72 124.23 43.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -108.0 114.44 28.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.428 HD13 ' O ' ' A' ' 104' ' ' TYR . 2.0 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.506 ' O ' ' CD2' ' A' ' 2' ' ' HIS . 2.6 mmt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.504 0.192 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 1' ' ' MET . 6.5 m170 -165.08 108.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.569 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.655 HG21 ' CG ' ' A' ' 94' ' ' HIS . 18.4 mm -119.33 137.13 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -144.97 176.31 9.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.566 HG12 ' CD1' ' A' ' 49' ' ' TRP . 16.3 mt -108.35 133.53 53.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -115.9 126.68 54.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -123.3 105.3 9.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp 65.58 -77.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' ASP . 1.0 OUTLIER -39.69 137.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.13 90.67 0.97 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.147 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -56.0 26.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 0.0 110.32 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -60.98 -31.16 70.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.568 HG21 ' CH2' ' A' ' 52' ' ' TRP . 25.1 t -73.38 -52.93 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -63.15 -42.0 94.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.4 m -57.14 -39.65 75.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.952 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.78 -36.15 78.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.47 -24.02 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -87.91 0.02 56.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.515 ' CG ' ' NH1' ' A' ' 77' ' ' ARG . 1.9 mt-10 68.47 85.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -93.28 -45.28 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.536 HD11 ' O ' ' A' ' 79' ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.74 65.38 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.62 -174.18 26.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.29 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.78 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -41.06 -50.09 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.4 mt -100.82 136.4 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.601 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 86.1 m -97.36 140.08 32.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.389 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.491 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -117.6 130.53 56.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.681 ' CZ3' ' CD2' ' A' ' 63' ' ' LEU . 10.3 m-90 -111.63 133.98 53.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 107.994 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.4 m -136.28 128.26 29.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.642 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -86.51 136.06 33.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.568 ' CH2' HG21 ' A' ' 13' ' ' VAL . 5.5 m95 -120.8 122.19 39.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 107.99 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -131.33 80.69 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.52 -130.02 6.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.0 -12.28 16.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -124.21 160.21 28.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.976 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.96 138.32 57.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.761 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -87.83 -34.15 18.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.595 ' N ' HD22 ' A' ' 57' ' ' LEU . . . -171.24 -179.62 42.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.147 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.544 ' O ' HG11 ' A' ' 91' ' ' VAL . 63.4 m -143.39 174.8 10.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 166.47 154.91 8.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -144.9 172.64 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.681 ' CD2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 pp -161.9 134.24 5.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.69 135.7 49.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -48.41 147.81 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.456 ' CD1' ' HG3' ' A' ' 72' ' ' GLU . 7.0 mt -138.6 -86.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -109.49 -172.83 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.3 p -73.45 -18.58 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -146.45 21.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 3.5 t60 -124.4 141.61 51.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.619 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.78 164.87 26.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 11.0 mt-10 -141.71 142.0 33.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 110.303 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -107.87 123.8 63.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.407 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -121.2 38.12 4.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.3 t -168.36 113.53 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.502 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -159.58 100.4 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.515 ' NH1' ' CG ' ' A' ' 19' ' ' GLU . 3.9 tpt180 -120.35 117.5 27.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 79' ' ' SER . 2.4 m -99.51 177.6 5.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.536 ' O ' HD11 ' A' ' 21' ' ' LEU . 5.9 t 61.55 86.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.01 -72.69 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 p -155.15 36.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 71.73 102.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.589 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 tt -141.22 153.63 45.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -118.8 96.95 5.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -179.85 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 145.86 84.39 0.06 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 58' ' ' ALA . 6.6 t -60.57 -60.93 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 0.731 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.502 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -69.05 -31.88 70.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.54 -43.95 88.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -56.93 -45.76 82.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.544 HG11 ' O ' ' A' ' 60' ' ' CYS . 52.2 t -75.07 -43.38 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.627 HD23 ' CE2' ' A' ' 127' ' ' PHE . 21.8 tp -58.29 -55.21 37.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -39.35 75.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.655 ' CG ' HG21 ' A' ' 3' ' ' ILE . 2.1 t60 -68.59 -46.55 69.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.547 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.2 mt -54.48 -48.58 69.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.664 ' CD1' ' CE1' ' A' ' 127' ' ' PHE . 96.3 mt -57.99 -44.12 86.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -40.69 96.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.443 ' HG2' ' CE1' ' A' ' 94' ' ' HIS . 15.5 mm-40 -55.69 -49.11 73.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.854 ' HB1' ' CG ' ' A' ' 104' ' ' TYR . . . -66.72 -35.74 80.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -39.14 86.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -40.9 69.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -39.68 29.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.63 53.16 0.68 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.854 ' CG ' ' HB1' ' A' ' 99' ' ' ALA . 4.9 m-85 -74.48 163.32 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.6 7.65 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.06 154.0 19.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.612 HD12 HD21 ' A' ' 151' ' ' LEU . 0.6 OUTLIER -156.42 122.42 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.768 ' O ' HD12 ' A' ' 73' ' ' ILE . 20.0 m -108.88 156.35 19.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.626 HD22 ' CD2' ' A' ' 124' ' ' TYR . 0.7 OUTLIER -136.91 172.39 13.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -104.56 106.92 17.6 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 145' ' ' VAL . 9.8 t -154.6 124.93 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -126.31 28.14 4.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.408 ' HB2' HG13 ' A' ' 145' ' ' VAL . 1.6 m 59.06 51.57 7.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.535 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -93.93 148.02 22.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.948 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.63 -35.37 60.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 20.1 m -70.36 -46.24 64.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -107.19 41.7 1.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.481 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 1.6 mt-10 -69.03 -56.06 9.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -75.01 -18.22 18.88 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.21 68.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.542 ' HA ' ' CD2' ' A' ' 124' ' ' TYR . 6.5 ptt-85 -66.12 -32.12 73.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 2.1 mtpt -65.36 -37.26 86.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.97 -30.65 71.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.626 ' CD2' HD22 ' A' ' 109' ' ' LEU . 12.8 m-30 -73.92 -50.04 21.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.425 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 12.5 mt-10 -51.31 -39.16 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -11.52 42.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.664 ' CE1' ' CD1' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -96.45 -17.31 20.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 120.49 -7.29 11.39 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.577 ' CE1' HD21 ' A' ' 109' ' ' LEU . 9.8 m-85 -53.8 131.21 39.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.93 151.4 41.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -61.2 139.73 58.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.45 -174.2 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.93 151.91 0.49 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' A' ' 146' ' ' PHE . 18.2 Cg_endo -74.97 120.36 6.04 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 33.6 m-85 -114.54 -172.17 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 135' ' ' PHE . . . 67.69 172.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -51.29 -31.85 22.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -66.36 154.03 41.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -151.35 -150.11 5.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -42.21 163.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.51 172.3 0.44 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.11 7.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -157.49 82.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.5 p -140.79 139.12 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.585 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 3.1 m -111.37 175.74 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 145' ' ' VAL . 90.4 m-85 -163.71 150.65 12.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.425 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.2 OUTLIER -154.74 160.56 41.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 t -133.08 157.21 45.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 129' ' ' PHE . 3.5 tmtm? -114.91 141.0 48.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 149' ' ' LYS . 5.4 ttpp -113.33 122.01 46.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.612 HD21 HD12 ' A' ' 107' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mtm . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.524 0.202 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -50.25 108.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.624 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.647 HG23 ' CD2' ' A' ' 94' ' ' HIS . 12.7 mm -118.81 124.83 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 3' ' ' ILE . 17.1 mttt -160.09 177.91 10.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.799 HG23 ' O ' ' A' ' 48' ' ' PHE . 3.3 mt -100.81 140.71 19.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.567 ' OD2' HG11 ' A' ' 13' ' ' VAL . 12.3 t70 -126.94 130.88 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -120.88 101.03 7.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp 40.31 81.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 m -161.67 98.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.46 117.14 3.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -49.4 -40.82 37.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 0.728 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.785 ' O ' HD13 ' A' ' 16' ' ' LEU . 8.1 mm100 -59.22 -34.29 72.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.567 HG11 ' OD2' ' A' ' 6' ' ' ASP . 96.9 t -72.0 -43.24 67.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.425 HG12 HD22 ' A' ' 18' ' ' ASN . 32.9 t -68.38 -49.77 63.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -33.3 32.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.785 HD13 ' O ' ' A' ' 12' ' ' GLN . 4.5 mp -65.49 -39.55 92.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.6 t -74.57 -39.25 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.425 HD22 HG12 ' A' ' 14' ' ' VAL . 8.9 m-80 -65.12 -15.25 62.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 47.79 95.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -91.44 -53.22 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.579 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.18 83.3 2.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.67 156.26 24.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -13.23 21.43 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.454 1.765 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.04 50.46 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.487 HD11 ' HD3' ' A' ' 64' ' ' LYS . 19.9 mm -115.47 136.41 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.6 ' CG2' ' CH2' ' A' ' 49' ' ' TRP . 52.8 m -121.74 137.32 54.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -121.48 123.61 42.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.979 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.6 ' CH2' ' CG2' ' A' ' 47' ' ' THR . 10.4 m-90 -98.28 147.49 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 107.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 m -140.65 135.76 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.872 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -106.03 131.87 52.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -115.55 128.31 55.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 107.985 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.664 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 6.4 tt0 -135.54 76.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.84 -132.18 10.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.59 1.181 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -108.98 7.37 25.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.575 ' OE2' ' CE1' ' A' ' 82' ' ' HIS . 4.7 pt-20 -125.82 164.05 21.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.55 HD11 HG22 ' A' ' 13' ' ' VAL . 3.4 mm? -67.79 119.96 13.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.872 ' HB3' ' O ' ' A' ' 51' ' ' ALA . . . -73.57 -42.17 61.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.24 -174.06 46.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.8 p -150.85 161.71 42.16 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.463 ' HA3' ' CG1' ' A' ' 91' ' ' VAL . . . -163.07 176.4 39.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -158.89 147.96 18.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -155.94 115.12 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.487 ' HD3' HD11 ' A' ' 46' ' ' ILE . 8.3 ttpt -104.77 136.03 45.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -59.58 142.33 52.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.42 -58.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -118.88 177.65 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -53.73 -32.89 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.441 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -142.09 44.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.543 ' CE1' ' HG ' ' A' ' 108' ' ' SER . 12.4 t-80 -138.26 139.96 39.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.98 150.91 20.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -133.43 135.56 44.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 0.783 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.486 ' CG1' HG21 ' A' ' 95' ' ' ILE . 4.1 mp -93.15 146.93 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.73 43.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.2 t -164.79 120.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -155.66 64.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.44 ' NH1' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -122.16 134.94 54.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 1.105 HG23 HG11 ' A' ' 87' ' ' VAL . 96.5 m -87.45 149.29 24.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.1 t -53.54 -58.36 7.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -154.44 -167.87 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.11 63.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.575 ' CE1' ' OE2' ' A' ' 56' ' ' GLU . 25.0 m-70 -93.33 -173.78 3.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.596 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.501 HD23 ' H ' ' A' ' 83' ' ' LEU . 2.5 pt? -62.06 159.32 14.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 153.46 19.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.31 59.16 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.17 -49.2 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.152 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 1.105 HG11 HG23 ' A' ' 78' ' ' THR . 23.7 t -69.8 -61.05 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.469 ' HB3' ' CD1' ' A' ' 123' ' ' LEU . . . -70.61 -33.54 71.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -45.22 92.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.505 ' HB3' HD11 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -56.87 -50.51 72.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG1' ' HA3' ' A' ' 61' ' ' GLY . 67.7 t -66.37 -41.18 88.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.13 -50.91 71.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -32.77 69.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.647 ' CD2' HG23 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -70.02 -54.77 11.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.592 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.486 HG21 ' CG1' ' A' ' 73' ' ' ILE . 32.5 mt -53.34 -46.52 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.557 HD13 ' CE1' ' A' ' 127' ' ' PHE . 46.2 mt -57.97 -52.85 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -41.41 79.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.549 ' HG3' ' CZ2' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -55.46 -44.96 76.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.746 ' HB3' HD11 ' A' ' 107' ' ' LEU . . . -71.34 -30.86 66.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.76 ' HG2' HD22 ' A' ' 151' ' ' LEU . 1.1 mt-10 -71.49 -47.44 55.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -31.17 71.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.403 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -81.52 -42.69 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.17 57.01 1.52 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.459 ' HB2' ' CD1' ' A' ' 151' ' ' LEU . 7.0 m-30 -79.15 178.48 8.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -97.83 -38.31 9.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -163.03 156.03 19.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.746 HD11 ' HB3' ' A' ' 99' ' ' ALA . 1.2 mt -114.82 123.06 48.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.543 ' HG ' ' CE1' ' A' ' 70' ' ' HIS . 32.1 m -100.96 164.88 11.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.871 HD22 ' CZ ' ' A' ' 124' ' ' TYR . 2.4 pp -159.59 147.63 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -104.67 103.06 12.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 145' ' ' VAL . 6.8 t -112.33 -45.69 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 41.77 28.57 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.427 ' HA ' ' NH1' ' A' ' 121' ' ' ARG . 1.2 p 52.55 34.68 16.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 0.74 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.518 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -76.34 154.03 35.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.71 -30.31 71.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -77.07 -24.63 51.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.057 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -120.09 25.81 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.7 mt-10 -65.99 -50.7 50.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -75.03 -29.84 7.75 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' A' ' 124' ' ' TYR . . . -58.35 -47.41 83.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.504 ' HD2' ' CZ ' ' A' ' 131' ' ' TYR . 21.7 ttp-105 -63.0 -38.53 91.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -72.89 -32.75 65.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -77.39 -28.74 52.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.871 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 3.8 m-85 -73.81 -52.57 12.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.423 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.0 OUTLIER -57.03 -29.51 63.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.35 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.1 t -70.09 -14.87 62.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 96' ' ' ILE . 13.9 t80 -99.25 -17.27 18.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 133.99 -34.33 2.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.761 ' CE1' HD23 ' A' ' 109' ' ' LEU . 4.3 m-85 -36.95 141.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -131.2 163.78 26.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.504 ' CZ ' ' HD2' ' A' ' 121' ' ' ARG . 6.0 m-85 -70.32 143.75 51.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.2 m -147.76 -178.38 6.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.452 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 4.0 mt-10 -57.09 168.17 0.95 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.69 30.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.461 ' HB3' ' CE2' ' A' ' 146' ' ' PHE . 32.8 t80 -173.71 -44.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -41.34 -68.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.28 26.28 2.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 50.44 -174.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 40.42 -154.4 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.12 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.1 173.49 9.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -133.22 116.14 14.19 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.08 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -139.48 69.13 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.57 138.97 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.997 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 111' ' ' THR . 29.6 m -116.95 143.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 135' ' ' PHE . 35.9 t80 -98.42 166.91 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.454 ' HB3' HD21 ' A' ' 109' ' ' LEU . 1.9 ttt -147.75 135.2 20.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.3 t -139.05 157.14 46.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.608 ' CB ' ' CZ ' ' A' ' 129' ' ' PHE . 6.2 tmtm? -135.87 152.26 50.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -114.02 115.37 27.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.76 HD22 ' HG2' ' A' ' 100' ' ' GLU . 27.5 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.531 0.205 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.27 109.08 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.579 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.464 ' CG2' ' CD2' ' A' ' 94' ' ' HIS . 2.9 mt -104.1 131.72 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.64 176.15 10.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 48' ' ' PHE . 5.3 mp -74.47 139.35 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -110.79 127.22 55.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.88 114.97 19.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 68.4 -78.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 m -38.56 151.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.424 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.439 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 94.83 84.15 1.64 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -54.95 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -34.6 68.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.542 HG21 ' CH2' ' A' ' 52' ' ' TRP . 42.6 t -74.78 -42.23 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 10' ' ' GLY . 7.8 t -67.22 -52.35 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.47 -35.03 38.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.684 HD22 ' SG ' ' A' ' 60' ' ' CYS . 5.2 tt -64.84 -36.99 86.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.0 -39.92 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -59.14 -69.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.95 69.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -87.1 -54.02 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.585 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.861 HD21 ' HB2' ' A' ' 80' ' ' ALA . 88.8 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -90.14 57.79 3.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.12 153.29 20.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 53.44 3.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -178.52 51.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.467 HD11 ' HD2' ' A' ' 64' ' ' LYS . 16.1 mm -138.44 131.49 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.537 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 16.0 m -107.27 127.87 53.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -109.29 117.61 34.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.776 ' CH2' HD22 ' A' ' 63' ' ' LEU . 10.5 m-90 -89.89 141.42 28.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -129.28 156.35 44.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.57 121.28 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 57' ' ' LEU . 5.5 m95 -112.34 126.59 55.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.787 ' HB2' ' HB2' ' A' ' 58' ' ' ALA . 1.1 tt0 -124.15 77.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.55 -133.42 10.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.29 -15.18 23.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.36 148.37 43.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -54.85 150.08 10.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.787 ' HB2' ' HB2' ' A' ' 53' ' ' GLU . . . -99.9 -26.39 14.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.39 -170.28 43.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.684 ' SG ' HD22 ' A' ' 16' ' ' LEU . 6.3 p -146.96 162.08 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' TRP . . . -163.65 161.65 34.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.435 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . . . -132.76 159.47 39.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.776 HD22 ' CH2' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -160.31 123.36 3.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' HD2' HD11 ' A' ' 46' ' ' ILE . 9.1 tttp -117.54 133.31 56.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -64.39 139.3 58.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.37 -84.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.442 ' N ' ' OD2' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -93.36 179.79 5.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.6 p -61.94 -27.53 68.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.55 43.81 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -150.89 147.98 27.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.619 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -156.75 167.51 33.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.495 ' O ' ' CE ' ' A' ' 74' ' ' LYS . 15.0 tt0 -142.18 138.98 31.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.753 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.716 HD11 HD22 ' A' ' 107' ' ' LEU . 3.7 mp -90.63 145.01 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.495 ' CE ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -118.84 -91.71 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -51.96 126.2 17.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.483 ' CG ' ' O ' ' A' ' 76' ' ' MET . 0.7 OUTLIER 173.81 75.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -152.61 161.13 43.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -161.42 142.95 11.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.1 69.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.861 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -134.2 -72.35 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.71 -41.42 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.028 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 66.77 93.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.013 HD13 ' N ' ' A' ' 84' ' ' ARG . 3.1 tm? -76.78 154.17 34.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 1.013 ' N ' HD13 ' A' ' 83' ' ' LEU . 2.5 ptt180 -94.58 96.92 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -174.79 -63.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 156.95 66.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 58' ' ' ALA . 4.0 t -61.6 -61.03 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.24 -31.89 72.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -66.52 -41.07 89.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 0.3 OUTLIER -61.66 -54.59 40.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.5 t -57.72 -52.33 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.786 HD22 ' CD2' ' A' ' 127' ' ' PHE . 5.6 tt -50.24 -46.42 54.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -47.3 81.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.464 ' CD2' ' CG2' ' A' ' 3' ' ' ILE . 5.1 t60 -61.83 -41.68 98.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.575 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.6 mm -53.52 -50.12 51.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.22 -49.26 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -37.47 71.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.51 ' HG3' ' CE2' ' A' ' 49' ' ' TRP . 3.1 tm-20 -62.32 -50.86 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.591 ' HB3' HD11 ' A' ' 107' ' ' LEU . . . -66.65 -30.76 71.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.29 -37.11 80.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -74.11 -24.42 59.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -90.04 -28.42 19.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.18 57.87 4.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -83.27 174.0 11.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -89.72 -37.33 14.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -162.88 160.47 25.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 73' ' ' ILE . 6.7 mt -114.36 118.14 33.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 82.9 p -103.19 158.78 16.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.475 ' C ' HD12 ' A' ' 109' ' ' LEU . 4.3 pp -175.61 173.03 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.19 116.97 33.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 111' ' ' THR . 7.8 t -160.59 112.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.411 ' C ' HG22 ' A' ' 145' ' ' VAL . . . -98.91 -122.51 4.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.1 m -143.52 16.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.789 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -52.85 148.98 6.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.45 -34.17 56.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.87 -38.8 57.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -107.38 37.77 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.6 mt-10 -73.21 -52.52 5.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.97 -13.64 21.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.51 69.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 20.1 ptt-85 -71.56 -36.54 70.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 119' ' ' PRO . 0.5 OUTLIER -67.75 -35.3 78.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.334 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 119' ' ' PRO . 13.1 tp -61.62 -45.06 95.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.523 ' HB3' ' CG ' ' A' ' 129' ' ' PHE . 14.3 m-85 -62.23 -44.14 97.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.442 ' CD ' ' HE1' ' A' ' 147' ' ' MET . 1.7 mm-40 -59.84 -33.18 71.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.0 t -82.17 -23.99 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.786 ' CD2' HD22 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -91.85 -16.84 26.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 124' ' ' TYR . . . 106.65 96.4 2.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 1.4 m-85 -151.75 160.26 43.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -106.33 156.81 18.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.451 ' OH ' HG11 ' A' ' 145' ' ' VAL . 3.6 t80 -111.69 118.64 36.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 111.045 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 45.1 m -151.9 179.75 8.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.284 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -54.62 166.82 0.67 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.553 ' HA ' ' CG ' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -75.02 138.43 22.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 136' ' ' ALA . 39.0 t80 -124.62 -44.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -39.08 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 138' ' ' TYR . 10.0 t0 -157.56 -55.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 137' ' ' ASP . 8.0 m-85 -37.22 156.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.93 -151.4 5.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 111.066 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.19 161.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.297 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.42 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.4 OUTLIER 169.41 174.06 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . 0.421 ' O ' ' ND2' ' A' ' 143' ' ' ASN . 18.2 Cg_endo -75.05 -27.93 9.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 142' ' ' PRO . 12.3 m-80 -159.94 75.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.4 t -136.76 131.44 33.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.451 HG11 ' OH ' ' A' ' 131' ' ' TYR . 32.7 m -132.4 -177.34 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.553 ' CG ' ' HA ' ' A' ' 134' ' ' PRO . 27.4 t80 -143.84 167.1 23.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.515 ' N ' ' CG ' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -152.33 141.84 21.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.015 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.539 ' C ' ' CD2' ' A' ' 129' ' ' PHE . 1.7 t -137.96 152.32 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -105.96 130.1 53.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.1 111.89 24.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mmt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.503 0.192 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -165.18 107.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.607 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.786 HG21 ' CG ' ' A' ' 94' ' ' HIS . 11.7 mm -120.04 137.5 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -149.37 175.56 11.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 48' ' ' PHE . 32.1 mt -109.34 140.63 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -119.0 121.99 41.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -124.73 101.89 7.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 7' ' ' ASP . 0.6 OUTLIER 37.46 88.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -176.47 -37.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.2 70.43 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 15' ' ' SER . 10.9 ptt180 -48.69 -33.6 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -68.98 -36.12 77.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.504 HG21 ' CH2' ' A' ' 52' ' ' TRP . 8.4 t -75.37 -51.38 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.604 HG12 HD22 ' A' ' 18' ' ' ASN . 40.7 t -64.4 -30.82 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -50.85 -33.45 23.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.982 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.95 -33.77 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.465 HG11 ' CE2' ' A' ' 48' ' ' PHE . 51.4 t -81.66 -31.22 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.604 HD22 HG12 ' A' ' 14' ' ' VAL . 7.7 m-80 -77.99 -0.67 28.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 75.6 69.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -92.35 -42.58 9.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.661 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 80' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.415 HD23 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -158.54 28.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.1 -170.55 12.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.84 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.67 -31.65 48.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 46' ' ' ILE . 10.9 mm -98.98 158.79 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.595 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 18.3 m -144.37 125.91 14.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.382 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 5' ' ' ILE . 3.6 m-85 -99.17 121.56 41.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.595 ' CZ3' ' HB ' ' A' ' 47' ' ' THR . 12.0 m-90 -100.3 129.94 46.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 108.015 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.7 p -115.83 163.86 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.571 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -139.93 134.81 32.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.54 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 35.7 m95 -116.79 123.05 46.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 107.973 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -131.18 76.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.53 -127.73 6.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.27 -4.8 15.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -127.2 158.01 38.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.896 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.19 126.68 28.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.479 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -71.18 -40.33 71.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.537 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 169.1 -158.29 30.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 t -157.85 177.03 11.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -159.71 -175.06 30.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 75' ' ' SER . . . -158.82 124.9 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -138.8 119.33 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 7.4 ttpp -105.33 146.68 29.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.64 140.07 58.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -120.68 -68.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -126.36 -174.97 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -70.85 -29.85 66.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 ptt-85 -134.2 32.88 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -142.76 152.89 42.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.601 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -153.85 176.2 31.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.538 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -151.09 151.16 31.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 0.784 . . . . 0.0 110.345 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.73 HD11 HD21 ' A' ' 107' ' ' LEU . 4.1 mp -117.83 122.55 70.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.35 58.05 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.63 ' HB2' ' HB3' ' A' ' 62' ' ' ALA . 0.4 OUTLIER 176.39 131.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.82 92.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.417 ' O ' ' HB ' ' A' ' 78' ' ' THR . 15.8 mtm180 -144.24 139.01 28.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER 179.42 -40.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.385 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.78 100.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.543 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -123.83 12.66 9.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.62 18.83 7.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -115.14 -7.12 12.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.603 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.428 HD13 HG23 ' A' ' 87' ' ' VAL . 7.5 mt -138.8 147.23 42.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' LYS . 2.4 mmt180 -113.08 96.84 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER 40.37 88.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.64 -71.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 29.9 t -48.09 -60.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.14 -43.49 61.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -56.53 -44.08 80.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -59.0 -53.4 58.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.92 -54.09 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.688 HD21 ' CE1' ' A' ' 124' ' ' TYR . 0.2 OUTLIER -47.91 -46.22 31.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -39.48 82.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.786 ' CG ' HG21 ' A' ' 3' ' ' ILE . 25.9 t60 -72.21 -33.39 67.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.607 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.459 HG21 HG12 ' A' ' 73' ' ' ILE . 19.0 mm -57.35 -48.4 82.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.463 HD12 ' CE1' ' A' ' 127' ' ' PHE . 19.9 mt -70.41 -35.25 61.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -48.95 68.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.556 ' OE1' ' CE1' ' A' ' 94' ' ' HIS . 0.3 OUTLIER -55.27 -45.15 76.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.37 -31.11 66.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -49.23 48.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -23.41 60.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.82 -42.91 15.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.59 35.65 1.54 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.568 ' O ' HD22 ' A' ' 151' ' ' LEU . 3.4 m-85 -75.78 158.34 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.731 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.63 11.35 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -163.19 160.47 24.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.73 HD21 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -155.28 152.23 28.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 m -128.47 164.35 22.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.026 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.743 HD23 ' N ' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -166.5 161.5 16.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.26 110.93 23.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.443 ' CG2' ' HB2' ' A' ' 147' ' ' MET . 14.8 t -174.56 117.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . -135.15 37.05 1.98 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.57 1.169 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 1.5 m 92.65 -4.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.0 tpt -43.03 128.4 4.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.08 -50.33 64.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.0 m -52.29 -23.85 6.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -125.27 28.56 6.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.8 tt0 -58.59 -51.25 83.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.97 -23.91 13.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.544 1.813 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.35 -49.23 70.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 7.2 ttp-105 -62.59 -41.11 98.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.47 -29.02 66.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.447 HD13 ' C ' ' A' ' 123' ' ' LEU . 2.4 tm? -76.85 -35.94 57.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.705 ' CE2' HD12 ' A' ' 109' ' ' LEU . 3.4 m-85 -65.98 -52.09 52.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.473 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.2 OUTLIER -60.72 -28.56 68.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.9 t -68.25 -14.06 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.463 ' CE1' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -98.25 -17.06 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.954 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.28 -32.53 2.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 28.3 m-85 -37.99 140.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -131.76 157.48 43.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.463 ' CE1' HG21 ' A' ' 145' ' ' VAL . 3.5 m-85 -67.35 146.94 53.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.61 178.7 9.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.585 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 1.8 mt-10 -46.1 151.01 0.97 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.419 ' HA ' ' HB2' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.95 153.46 42.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.53 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 3.8 t80 -177.34 -87.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.53 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 39.83 -99.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 135' ' ' PHE . 1.5 t70 -122.43 -48.8 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -88.73 -172.75 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -115.78 -164.85 14.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.97 166.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.412 ' CB ' ' HB2' ' A' ' 144' ' ' SER . 1.4 m-20 -174.51 161.54 2.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -33.17 4.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.546 1.814 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -131.6 67.92 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . 0.412 ' HB2' ' CB ' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -163.13 129.04 3.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.951 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.463 HG21 ' CE1' ' A' ' 131' ' ' TYR . 2.4 m -121.05 -174.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 133' ' ' GLU . 91.9 t80 -139.81 162.31 35.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 1.4 ttt -135.53 138.18 42.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.1 t -134.35 157.27 46.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 5.6 tmtm? -116.84 125.22 51.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.16 105.9 15.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.568 HD22 ' O ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.511 0.196 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -164.75 109.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.707 HG21 ' CG ' ' A' ' 94' ' ' HIS . 25.5 mm -118.99 136.95 54.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -145.73 174.8 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.7 mt -111.19 135.68 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -126.29 127.75 46.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -124.21 117.0 23.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 71.48 -77.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -39.58 150.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.374 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.09 104.14 2.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -56.67 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.7 -32.68 72.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.598 HG21 ' CH2' ' A' ' 52' ' ' TRP . 71.8 t -70.89 -44.94 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.4 t -71.14 -47.08 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -51.58 -35.49 41.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.66 HD11 ' O ' ' A' ' 78' ' ' THR . 0.2 OUTLIER -66.53 -42.92 86.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.412 HG11 ' CZ ' ' A' ' 48' ' ' PHE . 71.9 t -66.75 -40.83 86.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -60.6 -71.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.13 101.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -56.39 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -176.75 80.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.25 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.92 -171.48 35.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -46.87 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.538 1.81 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -55.44 -30.77 61.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.421 HD13 ' HB2' ' A' ' 64' ' ' LYS . 13.4 mm -99.16 128.27 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.524 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 90.4 m -111.85 135.27 52.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.412 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 1.8 m-85 -113.8 119.33 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.588 ' CH2' HD22 ' A' ' 63' ' ' LEU . 12.6 m-90 -97.06 133.75 41.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 108.054 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.3 m -122.04 124.62 44.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.598 ' HA ' HD13 ' A' ' 3' ' ' ILE . . . -99.92 126.49 46.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.598 ' CH2' HG21 ' A' ' 13' ' ' VAL . 6.8 m95 -116.17 119.66 36.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 108.017 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -126.39 76.96 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.02 -132.61 6.9 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.41 -12.04 16.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -120.37 164.61 16.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.917 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -65.45 132.38 48.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.65 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -82.67 -36.57 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.515 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 165.68 176.87 37.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -124.07 -170.38 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.59 144.87 7.13 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -112.92 118.87 36.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.588 HD22 ' CH2' ' A' ' 49' ' ' TRP . 6.5 tt -129.87 117.22 19.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HB2' HD13 ' A' ' 46' ' ' ILE . 10.1 ttpt -125.86 129.17 48.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 129.73 43.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.12 -64.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.28 -173.97 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 68' ' ' THR . 25.7 p -65.84 -38.43 88.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.37 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -130.51 36.87 3.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -145.69 142.87 29.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.586 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.92 179.92 20.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.133 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -162.13 151.28 15.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 62' ' ' ALA . 3.6 mp -122.69 141.28 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.367 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.78 56.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 62' ' ' ALA . 0.2 OUTLIER 176.74 109.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.7 tpt -156.72 87.61 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.5 mmt-85 -138.95 160.15 40.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.66 ' O ' HD11 ' A' ' 16' ' ' LEU . 12.1 p -100.17 -79.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.391 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.7 t 179.3 -37.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.67 -61.51 0.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 80.1 p -172.75 38.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -174.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.6 155.68 21.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.85 150.59 23.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.756 ' HG3' HD12 ' A' ' 123' ' ' LEU . 0.0 OUTLIER 63.64 66.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.473 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . -174.38 -74.53 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.15 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 58' ' ' ALA . 2.9 t -52.89 -60.99 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.63 -46.29 63.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -33.75 33.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 3.6 mm100 -66.44 -44.23 83.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.9 t -71.71 -49.09 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.687 HD22 HD11 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -48.57 -52.68 21.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -44.4 77.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.707 ' CG ' HG21 ' A' ' 3' ' ' ILE . 40.3 t60 -65.1 -40.91 95.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 mp -59.35 -46.17 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.687 HD11 HD22 ' A' ' 92' ' ' LEU . 13.1 mt -68.08 -38.16 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -41.33 98.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.425 ' OE1' ' CD2' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -56.67 -46.16 81.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.521 ' CB ' HD11 ' A' ' 107' ' ' LEU . . . -70.71 -30.99 67.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.87 -48.62 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -52.51 42.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -42.93 81.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.06 74.53 1.24 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -90.72 -175.08 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -114.23 -31.72 6.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 149' ' ' LYS . 2.8 mpp_? -162.98 153.62 16.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 1.024 HD12 HD11 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -121.06 133.77 55.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.6 t -100.93 168.98 9.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.702 HD22 ' CE2' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -164.68 154.51 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -104.72 103.14 12.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.5 p -99.13 -101.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . 111.68 -32.65 6.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.706 ' HB2' HG22 ' A' ' 145' ' ' VAL . 0.6 OUTLIER 89.99 34.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 109.976 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.51 ' CE ' ' HA ' ' A' ' 114' ' ' MET . 2.1 tpt -56.84 164.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.35 -45.84 68.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -16.96 59.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.557 ' O ' ' CD1' ' A' ' 117' ' ' PHE . 63.5 t80 -115.27 33.15 5.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.493 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.1 mt-10 -75.09 -51.85 3.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -75.0 -27.66 9.83 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.485 ' HB3' ' CD2' ' A' ' 117' ' ' PHE . . . -55.46 -49.55 72.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.653 ' HE ' HG21 ' A' ' 145' ' ' VAL . 9.0 tmm_? -63.78 -39.28 93.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.39 -25.07 67.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.756 HD12 ' HG3' ' A' ' 85' ' ' LYS . 0.3 OUTLIER -76.28 -34.76 59.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.557 ' CD2' HD11 ' A' ' 92' ' ' LEU . 9.5 m-85 -67.59 -52.28 40.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.485 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.2 pp20? -59.59 -27.62 66.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.3 t -79.83 -10.82 59.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.667 ' CD1' HD13 ' A' ' 92' ' ' LEU . 1.9 t80 -92.02 -17.12 25.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 134.93 -21.38 3.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.702 ' CE2' HD22 ' A' ' 109' ' ' LEU . 20.8 m-85 -55.34 140.03 40.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -127.3 149.45 50.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -58.95 137.88 57.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 2.2 m -161.69 174.53 13.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.297 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.8 132.77 2.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.568 ' HB3' ' CD1' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -75.01 155.87 42.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.41 ' O ' ' CD2' ' A' ' 138' ' ' TYR . 82.1 m-85 -129.01 -45.93 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -46.21 -63.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.47 -20.33 16.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.41 ' CD2' ' O ' ' A' ' 135' ' ' PHE . 0.7 OUTLIER 57.4 158.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 60.73 152.03 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.71 174.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 144' ' ' SER . 5.6 m-20 -159.17 152.96 19.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -14.4 21.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -169.35 88.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . 0.44 ' HB2' ' CB ' ' A' ' 141' ' ' ASP . 0.6 OUTLIER -173.2 137.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.706 HG22 ' HB2' ' A' ' 113' ' ' SER . 30.2 m -104.93 165.87 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 134' ' ' PRO . 0.8 OUTLIER -166.78 145.11 5.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.485 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -157.08 157.53 34.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.0 t -125.79 157.03 38.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 36.7 tptt -96.46 144.69 26.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -108.26 106.38 16.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 1.024 HD11 HD12 ' A' ' 107' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.222 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 mtt . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.499 0.19 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -148.37 145.2 27.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.605 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.692 HG22 ' CE1' ' A' ' 94' ' ' HIS . 3.9 mt -90.33 128.72 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.48 176.92 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.531 HG13 ' CD1' ' A' ' 49' ' ' TRP . 2.1 mp -81.71 120.86 34.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -124.53 152.85 42.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 8' ' ' LEU . 5.2 t0 -124.04 100.93 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' ASP . 3.8 mp 40.25 88.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -145.86 98.75 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.83 117.02 4.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -47.81 68.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -57.89 -33.04 68.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.827 HG22 HD11 ' A' ' 57' ' ' LEU . 19.9 t -72.13 -41.49 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -72.06 -47.71 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -33.44 28.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.967 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.519 HD13 ' HA2' ' A' ' 59' ' ' GLY . 4.0 tt -68.03 -39.77 83.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 t -70.75 -25.59 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -80.92 -18.25 47.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 41.64 86.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -83.78 -32.26 25.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.614 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.503 HD13 ' HB1' ' A' ' 80' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HA ' HG21 ' A' ' 46' ' ' ILE . 4.1 mp . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -168.08 57.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.84 -175.73 35.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -45.0 -27.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 64' ' ' LYS . 9.0 mm -100.54 123.49 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.428 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 75.6 m -102.86 135.35 44.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -111.09 117.8 34.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.559 ' CZ3' ' HG ' ' A' ' 63' ' ' LEU . 16.8 m-90 -93.38 122.64 36.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.604 ' O ' HG23 ' A' ' 3' ' ' ILE . 4.0 m -93.52 168.63 10.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.712 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -156.83 135.02 11.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -126.99 116.04 20.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 107.981 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.526 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -111.72 80.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.07 -131.5 10.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.49 17.09 24.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -126.86 130.28 49.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.827 HD11 HG22 ' A' ' 13' ' ' VAL . 3.4 mm? -50.86 110.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.72 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -57.75 -45.03 86.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.519 ' HA2' HD13 ' A' ' 16' ' ' LEU . . . 149.92 -127.43 2.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -167.21 175.77 7.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' TRP . . . -151.46 154.26 25.45 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.662 ' HB3' ' CB ' ' A' ' 75' ' ' SER . . . -151.42 133.57 15.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.74 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.559 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -151.1 120.88 7.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -104.8 129.43 53.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.21 142.0 17.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 66' ' ' LEU . 3.7 mt -117.69 -59.25 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -127.64 -168.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.3 p -65.25 -38.13 89.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 -134.75 48.59 2.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.465 ' CE1' ' OG ' ' A' ' 108' ' ' SER . 19.9 t-80 -147.15 138.1 23.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.578 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.62 150.5 20.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.2 131.22 48.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.683 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.2 mp -98.21 146.78 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.83 32.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.662 ' CB ' ' HB3' ' A' ' 62' ' ' ALA . 4.1 t -170.76 121.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.675 ' HE3' HD23 ' A' ' 92' ' ' LEU . 1.2 ppp? -178.7 34.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 161.06 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.437 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 70.9 m -80.95 -106.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.25 -74.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.503 ' HB1' HD13 ' A' ' 21' ' ' LEU . . . -174.18 70.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.59 25.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -70.75 -173.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.569 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.701 ' C ' HD22 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -60.97 159.64 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.01 148.32 37.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -169.87 -45.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.56 42.22 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 58' ' ' ALA . 1.4 t -62.99 -61.28 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.522 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -67.2 -33.56 75.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.467 ' HD3' ' CE1' ' A' ' 127' ' ' PHE . 0.7 OUTLIER -63.18 -40.18 96.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -56.87 -44.07 81.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.1 t -73.03 -50.23 33.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.721 ' CD1' HD11 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -52.41 -50.75 61.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -43.53 73.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.692 ' CE1' HG22 ' A' ' 3' ' ' ILE . 3.2 t-160 -61.04 -42.65 98.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.533 HG23 HD22 ' A' ' 63' ' ' LEU . 61.8 mt -64.39 -49.61 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.721 HD11 ' CD1' ' A' ' 92' ' ' LEU . 65.6 mt -58.37 -44.59 88.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -45.13 79.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.495 ' OE1' ' CD ' ' A' ' 102' ' ' ARG . 1.2 tm-20 -56.79 -50.86 71.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.801 ' CB ' HD21 ' A' ' 107' ' ' LEU . . . -65.64 -34.27 77.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.625 ' HG2' HD23 ' A' ' 151' ' ' LEU . 0.7 OUTLIER -66.44 -37.39 85.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -79.93 -32.88 40.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.582 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -70.89 -43.43 68.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.25 55.48 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 102' ' ' ARG . 16.2 m-30 -89.32 177.96 6.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -47.67 7.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.825 ' HA ' HD12 ' A' ' 151' ' ' LEU . 0.1 OUTLIER -163.25 159.55 22.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.873 HD11 HD21 ' A' ' 151' ' ' LEU . 1.0 OUTLIER -109.28 117.21 33.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.465 ' OG ' ' CE1' ' A' ' 70' ' ' HIS . 81.5 p -101.65 168.03 9.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.703 ' C ' HD12 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -174.33 162.84 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.618 ' N ' HD12 ' A' ' 109' ' ' LEU . 13.4 pt-20 -83.83 123.78 30.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.406 ' HB ' HD11 ' A' ' 109' ' ' LEU . 8.9 t -148.54 -176.86 5.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.59 -159.9 23.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.8 m -111.92 -4.12 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 118' ' ' GLU . 4.7 tpt -51.01 146.98 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.68 -33.85 61.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.3 m -70.22 -35.68 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -109.66 27.41 9.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.0 OUTLIER -74.84 -53.58 3.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.98 -17.4 19.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.21 -51.47 66.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.536 ' HA ' ' CD2' ' A' ' 124' ' ' TYR . 17.7 ptt180 -67.18 -35.39 79.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 119' ' ' PRO . 2.5 mtpp -61.62 -46.75 88.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.485 ' O ' HD22 ' A' ' 123' ' ' LEU . 1.8 tm? -53.23 -43.22 67.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.584 ' CZ ' HD21 ' A' ' 109' ' ' LEU . 13.1 m-30 -62.75 -50.16 72.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.407 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 45.5 mt-10 -54.8 -33.27 61.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.2 t -65.34 -14.24 60.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.467 ' CE1' ' HD3' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -98.24 -16.13 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 108.57 -1.86 32.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 0.3 OUTLIER -41.01 159.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 111.047 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -121.4 159.28 26.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.447 ' CE2' ' HE1' ' A' ' 147' ' ' MET . 13.6 m-85 -94.7 150.41 20.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.74 -176.26 5.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 108.272 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 10.6 mt-10 -57.78 151.41 42.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.245 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.13 23.88 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.652 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 0.1 OUTLIER -155.58 -164.12 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 135' ' ' PHE . . . 80.87 -168.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.92 -39.24 25.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -95.76 136.48 36.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -116.42 -162.77 13.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -42.35 158.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 0.727 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.429 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.7 OUTLIER 173.63 173.99 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.1 Cg_endo -75.05 1.56 7.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -166.71 80.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 53.9 p -153.4 136.73 15.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 5.4 m -148.0 151.82 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.601 ' CE1' ' CE2' ' A' ' 135' ' ' PHE . 15.8 t80 -122.38 146.18 47.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.447 ' HE1' ' CE2' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -120.68 142.22 49.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.466 ' C ' ' CD2' ' A' ' 129' ' ' PHE . 9.1 t -137.27 142.61 41.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 16.5 tptt -100.78 131.36 46.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 149' ' ' LYS . 3.9 ttpt -94.14 112.99 24.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.873 HD21 HD11 ' A' ' 107' ' ' LEU . 1.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.426 ' HG3' ' CB ' ' A' ' 53' ' ' GLU . 28.2 mmt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.502 0.192 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -164.69 108.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.597 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.619 ' CG2' ' CD2' ' A' ' 94' ' ' HIS . 3.9 mm -119.92 122.53 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.12 173.33 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.571 HG13 ' CD1' ' A' ' 49' ' ' TRP . 2.6 mp -87.69 138.63 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.586 ' OD2' HG21 ' A' ' 13' ' ' VAL . 8.6 t70 -107.62 118.86 37.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -125.3 100.86 6.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' HG22 ' A' ' 9' ' ' THR . 0.1 OUTLIER 53.24 176.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 9' ' ' THR . 0.5 OUTLIER 71.94 12.1 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.73 76.56 0.4 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.8 -49.63 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -60.7 -29.62 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.586 HG21 ' OD2' ' A' ' 6' ' ' ASP . 37.0 t -74.11 -42.03 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.16 -48.57 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -34.61 30.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 16' ' ' LEU . 4.4 tt -72.73 -45.04 60.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 13' ' ' VAL . 68.9 t -64.9 -24.14 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -77.68 -61.35 2.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.23 97.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.04 -58.87 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.799 HD21 ' O ' ' A' ' 80' ' ' ALA . 21.3 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.606 HD23 ' HZ ' ' A' ' 48' ' ' PHE . 6.7 mp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -78.47 61.08 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.64 167.02 12.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.16 8.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 5.9 tt0 -107.56 54.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.488 HG21 ' O ' ' A' ' 41' ' ' LEU . 19.4 mm -126.09 136.11 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.591 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 17.9 m -121.78 125.76 47.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.627 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 2.9 m-85 -106.08 117.26 33.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CH2' HD22 ' A' ' 63' ' ' LEU . 20.2 m-90 -90.06 132.27 35.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.053 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.6 m -123.0 163.38 20.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.039 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -130.96 130.86 43.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.461 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 2.3 m95 -119.6 116.74 26.64 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.53 ' CG ' ' HB2' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -142.88 76.2 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.344 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.1 -128.02 2.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.0 -9.32 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -141.17 177.25 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.944 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.49 134.64 57.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 51' ' ' ALA . . . -82.39 -36.57 26.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.564 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 177.08 -175.86 47.84 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.516 ' SG ' HG13 ' A' ' 13' ' ' VAL . 3.5 m -141.47 -174.26 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.601 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . -178.26 164.22 32.79 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.627 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -131.86 127.34 36.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 0.734 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.692 HD22 ' CH2' ' A' ' 49' ' ' TRP . 3.0 tt -137.99 119.74 15.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -120.1 137.24 54.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.24 148.57 44.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.72 -81.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.83 -170.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.3 t -60.11 -44.07 95.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -135.8 40.88 2.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -139.26 131.11 27.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.612 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.92 170.26 23.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -149.33 154.31 38.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.9 mt -115.96 138.73 45.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.48 46.86 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.72 102.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.565 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -139.83 83.51 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -123.44 135.8 54.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.506 HG23 ' HB ' ' A' ' 87' ' ' VAL . 4.4 m -68.37 -83.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.25 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.799 ' O ' HD21 ' A' ' 21' ' ' LEU . . . -117.42 -69.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER 163.49 -29.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 82' ' ' HIS . 8.3 p-80 -135.58 111.52 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 109.597 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.872 HD22 HG23 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -138.91 159.71 41.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.639 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -90.76 155.25 18.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 84' ' ' ARG . 0.2 OUTLIER 81.75 -67.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 131.44 110.0 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.434 1.084 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.872 HG23 HD22 ' A' ' 83' ' ' LEU . 68.8 t -73.87 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.565 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -52.21 -42.65 63.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.872 ' HG3' HD11 ' A' ' 123' ' ' LEU . 5.4 mtpt -55.23 -44.25 75.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 5.3 mm100 -62.05 -54.03 47.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.0 t -57.63 -53.83 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.64 HD12 HD11 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -47.82 -49.89 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -42.5 91.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.619 ' CD2' ' CG2' ' A' ' 3' ' ' ILE . 5.2 t-160 -56.91 -49.75 74.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.627 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 mp -56.74 -50.26 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.64 HD11 HD12 ' A' ' 92' ' ' LEU . 63.8 mt -59.78 -51.98 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -41.87 71.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.429 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 5.3 tp10 -62.63 -51.03 68.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.09 -31.13 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.78 -45.93 90.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -51.83 67.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -34.82 75.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.98 57.1 3.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.601 ' HB2' HD13 ' A' ' 151' ' ' LEU . 14.9 m-85 -70.76 -173.72 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -108.08 -35.97 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -162.94 161.08 25.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.601 HD12 HD11 ' A' ' 151' ' ' LEU . 3.3 mt -123.44 118.22 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 m -106.98 168.86 8.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.593 HD11 ' CE2' ' A' ' 124' ' ' TYR . 0.3 OUTLIER -173.51 -175.7 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.439 ' HA ' ' CB ' ' A' ' 136' ' ' ALA . 12.6 pt-20 -95.72 128.08 42.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 145' ' ' VAL . 3.0 m -146.42 143.83 29.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.837 ' O ' HG22 ' A' ' 145' ' ' VAL . . . -143.91 -107.47 0.58 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.7 p 179.33 50.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 110.055 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.459 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -95.0 142.57 27.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.8 -31.61 39.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.2 p -64.57 -44.57 90.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -119.39 45.78 2.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.5 tt0 -71.23 -52.9 8.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.99 -12.63 21.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.09 -51.85 60.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 30.1 ptt85 -67.33 -32.31 73.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER -66.49 -37.82 85.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.872 HD11 ' HG3' ' A' ' 89' ' ' LYS . 1.0 OUTLIER -64.0 -34.84 78.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.593 ' CE2' HD11 ' A' ' 109' ' ' LEU . 14.4 m-30 -69.35 -50.2 48.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.47 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 29.1 mt-10 -49.74 -43.3 47.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.3 t -61.38 -16.83 50.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.63 ' CE1' ' CD1' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -90.91 -17.14 26.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 121.74 -16.4 8.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.565 1.165 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 5.7 m-85 -44.64 139.82 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -114.94 162.72 16.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.429 ' CD2' ' SD ' ' A' ' 147' ' ' MET . 22.4 m-85 -89.82 135.75 33.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 71.6 m -148.73 160.3 43.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.278 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -41.88 163.38 0.12 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.43 14.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.453 1.765 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 136' ' ' ALA . 76.8 t80 -132.15 -43.09 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -36.85 -62.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -172.5 -65.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -47.68 121.23 3.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -84.78 -163.72 37.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -49.49 157.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 167.69 167.23 0.13 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 0.45 8.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -156.59 78.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . 0.47 ' C ' HG13 ' A' ' 145' ' ' VAL . 3.7 t -164.69 129.19 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 112' ' ' GLY . 15.9 m -154.43 144.75 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.527 ' CE2' ' HB ' ' A' ' 148' ' ' THR . 17.3 t80 -117.32 156.85 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.47 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -131.56 143.81 50.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.527 ' HB ' ' CE2' ' A' ' 146' ' ' PHE . 2.7 t -139.08 128.05 23.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.431 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 2.6 tmtt? -90.49 145.37 24.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.51 109.07 18.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.601 HD11 HD12 ' A' ' 107' ' ' LEU . 1.2 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.544 0.212 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.92 109.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.603 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.581 HG22 ' CE1' ' A' ' 94' ' ' HIS . 3.2 mt -118.97 132.98 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -135.98 175.21 9.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.63 111.28 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.37 149.93 50.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -119.63 100.38 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' HA ' ' CG1' ' A' ' 13' ' ' VAL . 0.6 OUTLIER 37.72 86.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.438 ' HB ' ' CG2' ' A' ' 13' ' ' VAL . 23.5 m -62.7 -81.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.543 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -132.84 -125.68 2.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.07 -29.86 23.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -63.42 -49.52 73.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 8' ' ' LEU . 79.4 t -73.27 -38.76 54.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 10' ' ' GLY . 3.3 t -61.66 -45.69 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.86 -46.99 74.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -44.77 77.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.69 -46.84 95.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -63.73 -70.12 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 176.68 137.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -92.82 -48.25 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.637 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.893 ' HG ' ' HB2' ' A' ' 80' ' ' ALA . 1.1 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.571 ' HG ' ' CZ ' ' A' ' 48' ' ' PHE . 2.6 mm? . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 38.96 81.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.69 146.12 13.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -9.42 20.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -136.89 51.84 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.567 HD12 HD12 ' A' ' 41' ' ' LEU . 13.6 mm -106.8 125.73 62.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.543 ' CG2' ' CH2' ' A' ' 49' ' ' TRP . 52.6 m -99.43 143.01 30.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 110.43 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.832 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 3.0 m-85 -127.2 123.15 35.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.543 ' CH2' ' CG2' ' A' ' 47' ' ' THR . 10.4 m-90 -97.5 119.67 36.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 108.014 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.507 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 33.0 m -101.31 129.03 47.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.16 123.48 43.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.507 ' CZ2' ' HB3' ' A' ' 50' ' ' SER . 1.1 m95 -125.34 114.91 19.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 107.989 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -114.92 78.53 1.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.71 -128.74 6.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.058 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.31 -13.21 16.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -119.35 160.58 22.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.964 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -67.35 139.61 57.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.536 ' HB1' HG22 ' A' ' 87' ' ' VAL . . . -94.92 -33.77 12.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.512 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 176.25 -154.41 16.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.5 p -160.06 169.1 24.09 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TRP . . . -169.71 117.04 0.69 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.14 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.832 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . . . -114.53 153.82 29.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.525 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 3.2 pp -139.99 124.73 18.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' HG3' HD11 ' A' ' 46' ' ' ILE . 1.4 ttpt -92.91 125.6 37.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.4 156.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.495 HD13 ' ND1' ' A' ' 70' ' ' HIS . 5.5 mt -139.91 -75.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.35 -175.16 3.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -57.99 -42.3 84.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.22 38.57 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.495 ' ND1' HD13 ' A' ' 66' ' ' LEU . 4.1 t-80 -136.85 132.49 34.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.592 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.39 154.86 22.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 111.047 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.418 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 3.9 tt0 -133.88 134.03 42.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 110.287 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.4 mp -101.41 137.29 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.18 59.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.47 120.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.43 93.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.36 100.08 6.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 79' ' ' SER . 82.5 m -48.06 167.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.539 ' HB2' HG21 ' A' ' 87' ' ' VAL . 4.2 t -103.22 130.27 50.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.893 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . . . -82.92 -165.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER 87.9 -20.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 70.36 81.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.635 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 83' ' ' LEU . 3.9 pp -124.89 146.57 49.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -100.52 97.02 7.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -149.07 -59.91 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 118.66 61.65 0.28 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.539 HG21 ' HB2' ' A' ' 79' ' ' SER . 21.6 t -62.07 -60.47 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.56 96.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.83 ' HG3' HD11 ' A' ' 123' ' ' LEU . 13.2 mttt -56.31 -44.57 80.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 4.9 mm100 -57.96 -50.99 71.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.74 -51.95 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.523 HD21 ' CZ ' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -48.19 -52.46 20.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -49.07 75.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.581 ' CE1' HG22 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -60.55 -45.53 93.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.641 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 96' ' ' ILE . 1.0 OUTLIER -53.49 -51.46 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.737 HD12 ' CE2' ' A' ' 127' ' ' PHE . 79.0 mt -63.22 -45.39 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -42.4 74.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.498 ' CD ' ' CZ2' ' A' ' 49' ' ' TRP . 4.3 mm-40 -56.84 -49.23 76.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.255 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.411 ' HA ' ' CE2' ' A' ' 104' ' ' TYR . . . -66.82 -33.78 76.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -48.39 79.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -52.4 -52.62 52.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.568 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -65.82 -41.36 91.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.65 56.62 2.33 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 102' ' ' ARG . 22.3 m-85 -76.9 -168.91 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -115.73 -34.62 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -163.08 160.94 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.75 HD23 HD21 ' A' ' 151' ' ' LEU . 0.4 OUTLIER -144.28 131.36 20.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -103.3 165.47 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.966 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.479 HD21 ' CE2' ' A' ' 129' ' ' PHE . 2.2 pp -169.63 163.7 10.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -104.92 104.09 13.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 112' ' ' GLY . 3.3 t -121.35 -54.64 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.494 ' N ' HG23 ' A' ' 111' ' ' THR . . . 63.01 -150.93 48.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 83.2 p -139.6 51.59 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -75.79 150.35 37.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.07 -34.1 55.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.5 t -77.05 -41.78 41.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -108.01 43.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.2 mt-10 -73.21 -53.31 4.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -75.0 -21.81 15.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.95 -51.08 71.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 29.9 ptt85 -65.08 -32.22 73.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -72.57 -42.67 64.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.83 HD11 ' HG3' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -56.41 -32.06 64.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.523 ' CZ ' HD21 ' A' ' 92' ' ' LEU . 3.7 m-85 -71.63 -50.17 33.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.477 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 34.8 mt-10 -50.15 -41.8 49.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.341 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.7 t -61.79 -13.62 25.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.737 ' CE2' HD12 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -96.65 -17.35 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 131.49 -27.41 3.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 4.4 m-85 -42.5 139.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -126.6 166.45 17.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.14 133.39 34.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 m -136.87 179.06 6.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 108.288 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.467 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -50.58 143.45 14.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.463 ' CG ' ' HG2' ' A' ' 140' ' ' GLU . 18.2 Cg_endo -75.0 124.72 8.84 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.543 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 16.8 t80 -137.65 -87.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.543 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 40.21 -151.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -60.8 3.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -107.03 143.99 34.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 140' ' ' GLU . . . -59.13 -149.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.463 ' HG2' ' CG ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -48.78 177.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.771 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.414 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.4 OUTLIER -173.8 173.41 1.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.3 Cg_endo -74.97 -32.43 5.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -144.94 74.32 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.4 m -165.85 143.94 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.464 HG22 ' C ' ' A' ' 112' ' ' GLY . 5.0 m -136.63 -177.91 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 133' ' ' GLU . 70.4 t80 -137.61 156.39 48.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.477 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -138.21 148.61 44.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.9 t -139.11 145.84 39.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.443 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 2.5 tmtm? -110.1 133.81 52.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -107.34 109.8 21.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.75 HD21 HD23 ' A' ' 107' ' ' LEU . 2.4 mm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.521 0.2 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -165.49 107.9 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.603 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.955 HG21 ' CG ' ' A' ' 94' ' ' HIS . 37.5 mm -120.29 137.63 53.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -141.34 174.57 10.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.554 HG12 ' CD1' ' A' ' 49' ' ' TRP . 47.5 mt -114.47 119.25 60.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -127.37 130.94 50.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.93 100.99 6.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 46.11 88.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -174.41 121.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.64 115.12 2.0 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.42 -29.26 15.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.754 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -71.7 -45.27 62.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.4 t -71.04 -36.07 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -71.34 -42.18 73.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 m -54.67 -35.04 63.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.823 HD23 HD21 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -63.77 -43.35 96.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.99 -44.95 92.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.515 ' O ' ' C ' ' A' ' 19' ' ' GLU . 5.0 m-80 -59.12 -22.44 60.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.515 ' C ' ' O ' ' A' ' 18' ' ' ASN . 1.3 pt-20 27.62 87.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -34.95 75.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.619 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.917 HD13 HD12 ' A' ' 46' ' ' ILE . 4.2 mm? . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -79.42 59.59 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.37 165.22 26.78 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.1 18.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.564 1.823 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -95.78 48.58 1.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.917 HD12 HD13 ' A' ' 41' ' ' LEU . 10.1 mm -133.31 129.96 57.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.487 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 46.5 m -116.08 141.09 48.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.46 ' O ' HG23 ' A' ' 5' ' ' ILE . 2.8 m-85 -123.84 149.55 45.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.573 ' CH2' ' HG ' ' A' ' 63' ' ' LEU . 12.1 m-90 -127.96 123.77 35.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.0 m -110.01 137.87 47.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.053 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.59 ' HB2' ' CD1' ' A' ' 3' ' ' ILE . . . -110.87 136.69 49.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.357 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.486 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 17.1 m95 -117.26 122.25 43.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 107.999 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 7.1 tp10 -131.66 76.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.84 -132.3 6.81 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.95 -4.82 21.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -133.56 154.67 50.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.867 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -53.8 133.33 42.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.424 ' HB2' ' HB3' ' A' ' 53' ' ' GLU . . . -80.49 -36.93 32.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.526 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 171.37 -150.37 13.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 49' ' ' TRP . 25.4 p 178.14 163.19 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -143.92 -174.0 15.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.632 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -158.36 152.09 23.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.573 ' HG ' ' CH2' ' A' ' 49' ' ' TRP . 2.8 pp -155.91 134.27 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -109.6 135.37 50.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.67 152.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 66' ' ' LEU . 4.7 mt -133.63 -87.05 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.443 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -119.42 179.73 4.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.3 p -55.23 -36.5 66.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 105' ' ' GLU . 0.2 OUTLIER -134.08 32.39 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.443 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 4.4 t-160 -132.34 134.31 45.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.21 171.02 24.77 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -153.97 154.38 33.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 0.813 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.632 HG23 ' O ' ' A' ' 62' ' ' ALA . 2.1 mp -122.29 138.7 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.401 ' N ' ' HE3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -138.71 37.76 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.627 ' HB2' ' HB3' ' A' ' 62' ' ' ALA . 1.2 m -159.46 124.37 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.912 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 3.2 ttt -178.01 112.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -148.39 160.57 42.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.4 m -114.96 145.18 42.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.52 -61.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -132.47 158.71 41.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.49 -24.43 65.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.37 73.89 0.93 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.571 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.1 tp -124.54 157.92 34.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -91.9 154.02 19.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.64 143.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -78.15 91.52 1.13 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.2 t -50.98 -60.93 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.912 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -53.1 -32.21 46.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.451 ' HG2' ' CE2' ' A' ' 127' ' ' PHE . 1.0 OUTLIER -64.02 -44.43 92.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -58.27 -44.96 88.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 79.0 t -73.29 -49.99 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.848 HD23 ' CD2' ' A' ' 127' ' ' PHE . 14.5 tp -48.02 -46.89 33.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -48.56 72.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.955 ' CG ' HG21 ' A' ' 3' ' ' ILE . 39.1 t60 -63.15 -44.06 96.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.575 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.529 HG21 HG12 ' A' ' 73' ' ' ILE . 53.5 mt -59.22 -52.27 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.556 HD12 ' CE1' ' A' ' 127' ' ' PHE . 73.4 mt -57.62 -42.22 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -43.77 97.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -55.04 -47.27 75.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.612 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . . . -68.82 -31.69 70.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -23.29 65.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -77.63 -43.46 31.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -80.12 -33.79 38.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.63 57.89 2.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.612 ' CD2' ' HA ' ' A' ' 99' ' ' ALA . 23.8 m-85 -64.58 -172.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -106.81 -39.86 5.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.15 161.1 24.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 149' ' ' LYS . 0.6 OUTLIER -117.48 122.27 43.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 92.7 p -105.88 168.21 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.907 HD13 ' CE1' ' A' ' 124' ' ' TYR . 1.0 OUTLIER -161.1 166.22 28.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -103.11 102.9 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.56 HG22 HG23 ' A' ' 145' ' ' VAL . 1.2 m -137.28 128.36 27.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.2 44.81 0.97 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.547 ' OG ' HG13 ' A' ' 145' ' ' VAL . 1.4 m 53.56 25.05 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.974 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.509 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -62.12 129.54 41.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.97 -28.52 38.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.9 p -74.34 -29.34 61.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.47 ' HD2' ' HB2' ' A' ' 120' ' ' ALA . 10.8 m-85 -123.37 33.06 5.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.0 OUTLIER -56.14 -54.31 53.98 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.98 -21.45 15.89 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.47 ' HB2' ' HD2' ' A' ' 117' ' ' PHE . . . -50.77 -51.48 49.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 5.4 ppt_? -64.4 -31.04 72.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.4 OUTLIER -74.06 -33.87 63.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.516 HD13 ' C ' ' A' ' 123' ' ' LEU . 3.3 tm? -73.14 -41.88 63.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.907 ' CE1' HD13 ' A' ' 109' ' ' LEU . 11.6 m-85 -61.54 -53.3 58.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.488 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.6 OUTLIER -61.57 -27.74 68.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.8 t -69.73 -11.53 60.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.848 ' CD2' HD23 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -98.33 -17.31 18.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.984 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 138.18 -30.67 2.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.614 ' CE2' HD23 ' A' ' 109' ' ' LEU . 9.5 m-85 -37.24 135.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -124.07 145.52 49.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -60.49 140.59 57.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -168.54 -173.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.87 141.97 1.19 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.98 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -95.31 -25.85 16.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -42.29 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -137.15 28.8 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 52.21 173.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.27 149.22 6.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -98.28 170.76 8.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -167.53 145.62 3.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.55 21.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -128.45 66.96 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.4 m -173.56 147.92 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.044 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.56 HG23 HG22 ' A' ' 111' ' ' THR . 28.2 m -127.48 137.34 58.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.523 ' CD1' ' HB3' ' A' ' 134' ' ' PRO . 0.3 OUTLIER -133.38 148.72 51.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.95 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.488 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -158.4 165.31 34.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 10.8 t -139.34 156.93 46.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -100.62 138.92 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.58 111.1 20.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.487 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 13.3 mtt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.51 0.195 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 1' ' ' MET . 42.0 m-70 -165.02 108.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.816 HD13 ' HA ' ' A' ' 51' ' ' ALA . 22.6 mm -118.96 137.08 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 3' ' ' ILE . 9.3 mtpt -158.99 176.43 12.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.1 mt -87.18 141.73 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.31 127.32 40.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -124.17 153.63 41.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.502 HD23 HG21 ' A' ' 14' ' ' VAL . 2.7 mt -59.97 82.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 9' ' ' THR . 1.3 t -160.92 25.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.23 97.54 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -52.18 -26.62 11.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.765 . . . . 0.0 110.27 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -69.58 -44.04 71.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.51 HG21 ' CH2' ' A' ' 52' ' ' TRP . 53.9 t -71.95 -39.82 67.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.502 HG21 HD23 ' A' ' 8' ' ' LEU . 53.8 t -71.56 -46.45 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 22.8 t -50.66 -53.13 33.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.55 HD13 HD21 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -53.29 -46.09 69.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 13' ' ' VAL . 63.7 t -63.26 -43.34 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.434 HD22 HG12 ' A' ' 14' ' ' VAL . 3.4 m-80 -58.09 -70.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -177.27 108.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -94.51 -45.26 7.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.622 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.674 HD13 HG21 ' A' ' 46' ' ' ILE . 4.0 mm? . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.7 ttt180 -95.09 61.63 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.42 179.66 34.86 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.451 1.094 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -40.18 -34.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.674 HG21 HD13 ' A' ' 41' ' ' LEU . 4.2 mt -113.04 158.55 13.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.608 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 4.4 m -131.71 142.89 49.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.432 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -116.24 120.54 39.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.608 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 19.7 m-90 -98.93 138.64 35.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 107.96 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.471 ' HA ' ' CB ' ' A' ' 60' ' ' CYS . 11.8 p -123.04 170.21 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.861 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -135.94 120.78 18.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.51 ' CH2' HG21 ' A' ' 13' ' ' VAL . 6.9 m95 -107.59 120.38 42.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -125.15 76.76 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.15 -131.0 6.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.49 -12.09 15.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -118.73 162.38 18.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.919 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -65.28 129.67 40.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.861 ' HB3' ' O ' ' A' ' 51' ' ' ALA . . . -80.9 -39.5 26.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.64 -166.58 36.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 17.1 p -177.98 170.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . -152.35 -176.45 25.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.725 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -112.18 154.19 25.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 0.741 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.908 HD12 HG23 ' A' ' 95' ' ' ILE . 4.7 tt -156.93 115.25 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -122.51 140.32 52.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.97 151.18 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 -61.0 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.08 -163.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -76.13 -36.3 58.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.05 41.8 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -142.3 138.19 31.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.609 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -139.19 164.42 25.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -146.68 143.73 28.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.76 . . . . 0.0 110.281 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.938 HG12 HD13 ' A' ' 95' ' ' ILE . 4.7 mp -120.94 131.55 72.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -132.96 64.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.96 97.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.497 ' HE3' ' O ' ' A' ' 88' ' ' ALA . 1.9 tpt -137.22 88.48 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.05 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -126.9 137.6 53.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.547 ' HB ' ' CD2' ' A' ' 82' ' ' HIS . 20.2 m -86.44 -71.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.47 ' HB2' HD11 ' A' ' 16' ' ' LEU . 4.7 t 166.75 63.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 62.11 116.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.524 ' O ' ' CG ' ' A' ' 82' ' ' HIS . 0.2 OUTLIER 75.27 -55.5 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.965 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.547 ' CD2' ' HB ' ' A' ' 78' ' ' THR . 1.5 m170 88.73 115.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 pp -72.99 158.99 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.45 104.29 16.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.08 -57.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.37 52.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.613 HG22 ' HB1' ' A' ' 58' ' ' ALA . 2.7 t -74.56 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.497 ' O ' ' HE3' ' A' ' 76' ' ' MET . . . -55.79 -34.43 65.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -46.66 87.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.366 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.501 ' HB3' HD11 ' A' ' 3' ' ' ILE . 7.9 mm100 -57.09 -48.06 79.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.02 -49.0 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.862 HD23 ' CD2' ' A' ' 127' ' ' PHE . 6.0 tp -56.72 -51.25 69.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -37.08 66.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.612 ' CE1' ' CG2' ' A' ' 3' ' ' ILE . 12.0 t-160 -66.63 -55.19 16.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.938 HD13 HG12 ' A' ' 73' ' ' ILE . 26.4 mt -53.88 -43.8 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.683 ' CD1' ' CE1' ' A' ' 127' ' ' PHE . 67.4 mt -60.98 -56.04 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -37.52 67.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -48.94 79.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.45 -32.71 73.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.476 ' CD ' HD11 ' A' ' 151' ' ' LEU . 0.8 OUTLIER -63.34 -38.99 93.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -16.42 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.74 -42.98 10.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.243 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.94 47.01 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.478 ' O ' HD23 ' A' ' 151' ' ' LEU . 3.8 m-85 -93.99 164.76 12.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.65 13.66 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -155.62 144.52 20.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.472 HD21 HG22 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -143.6 118.86 10.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.1 t -101.03 169.16 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.851 HD13 ' CE2' ' A' ' 124' ' ' TYR . 1.2 pp -148.97 163.21 38.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.414 ' N ' HD12 ' A' ' 109' ' ' LEU . 1.4 tt0 -103.82 104.67 14.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.61 ' CG2' HD11 ' A' ' 109' ' ' LEU . 2.2 t -144.44 140.51 29.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.437 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -147.54 36.91 1.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 p 52.97 38.69 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.062 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.581 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -90.84 136.99 32.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.83 -32.31 43.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.1 t -66.3 -34.23 77.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -122.49 37.5 4.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 2.3 mt-10 -65.79 -50.98 51.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.97 -22.96 14.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.99 -49.77 72.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 118' ' ' GLU . 23.1 ptt85 -67.15 -33.93 76.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -71.82 -30.29 65.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.66 HD13 ' C ' ' A' ' 123' ' ' LEU . 1.5 tm? -77.19 -38.63 51.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.851 ' CE2' HD13 ' A' ' 109' ' ' LEU . 9.2 m-85 -64.89 -51.49 61.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.475 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.3 pp20? -59.44 -33.03 70.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.8 t -68.7 -11.79 60.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.862 ' CD2' HD23 ' A' ' 92' ' ' LEU . 2.5 t80 -98.37 -17.07 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.45 ' O ' ' NE2' ' A' ' 130' ' ' GLN . . . 136.54 -35.17 2.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.695 ' CD1' HD23 ' A' ' 109' ' ' LEU . 22.0 m-85 -37.95 137.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.475 HE21 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -127.81 151.93 48.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -60.32 148.13 38.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.2 m -169.72 179.66 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.336 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -49.81 149.41 4.6 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.97 162.45 37.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -145.23 -45.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -44.98 159.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.4 -49.29 5.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -52.86 139.74 26.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -107.48 179.14 22.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -43.21 166.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.11 166.93 0.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.41 9.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -150.3 75.98 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.61 132.9 3.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.59 ' C ' ' CD1' ' A' ' 146' ' ' PHE . 4.0 m -135.54 149.23 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 145' ' ' VAL . 6.1 m-85 -145.27 143.63 30.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.493 ' CG ' HD21 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -141.66 154.01 45.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.2 t -127.21 155.94 42.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.373 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 129' ' ' PHE . 9.7 tmtt? -111.38 144.47 40.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -110.96 107.77 17.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 104' ' ' TYR . 8.0 tp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.527 0.203 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -165.03 108.55 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.706 ' CG2' ' CE1' ' A' ' 94' ' ' HIS . 12.6 mm -119.4 136.91 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 179.15 7.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.552 HG12 ' CD1' ' A' ' 49' ' ' TRP . 9.6 mt -110.44 138.19 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.408 ' CB ' ' OG ' ' A' ' 50' ' ' SER . 9.1 t70 -125.28 124.77 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -122.69 104.12 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 7' ' ' ASP . 0.6 OUTLIER 37.54 60.43 1.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -154.73 109.22 2.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 119.85 118.08 2.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -63.9 -53.05 56.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -60.41 -33.6 72.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.754 HG22 HD11 ' A' ' 57' ' ' LEU . 15.8 t -72.3 -49.45 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 10' ' ' GLY . 39.5 t -61.19 -49.62 83.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -52.79 -40.88 63.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -38.41 80.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.7 t -75.6 -30.6 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -76.91 -69.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER 170.39 88.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -94.65 -56.55 2.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.618 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.62 HD21 ' O ' ' A' ' 74' ' ' LYS . 4.3 mp . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -164.89 42.07 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.262 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.8 -176.01 21.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -47.16 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -42.53 -30.47 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.51 HD11 ' HG3' ' A' ' 64' ' ' LYS . 6.5 mm -95.5 129.32 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.596 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 93.8 m -109.33 137.97 46.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 62' ' ' ALA . 7.0 m-85 -117.6 127.81 54.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.596 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 17.0 m-90 -104.52 141.0 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.408 ' OG ' ' CB ' ' A' ' 6' ' ' ASP . 71.4 m -129.01 144.15 51.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.799 ' C ' ' HB3' ' A' ' 58' ' ' ALA . . . -117.45 133.36 56.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -117.43 126.14 52.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 108.032 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.603 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 60.1 tt0 -135.88 77.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.37 -133.66 11.77 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.65 13.3 30.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.343 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -133.38 148.04 51.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.754 HD11 HG22 ' A' ' 13' ' ' VAL . 3.2 mm? -57.06 119.01 5.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.892 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -68.06 -20.5 64.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.32 177.61 17.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.458 ' O ' HG11 ' A' ' 91' ' ' VAL . 63.7 m -140.84 151.94 44.74 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -157.55 147.89 16.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.426 ' HB2' ' CD1' ' A' ' 48' ' ' PHE . . . -155.34 155.68 34.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.666 HD22 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -142.36 139.67 31.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.51 ' HG3' HD11 ' A' ' 46' ' ' ILE . 25.1 ttpt -96.82 135.81 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.38 112.75 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.464 HD22 ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -93.44 -77.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 37.8 m-20 -121.49 -172.87 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.1 t -66.8 -32.56 73.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -131.35 21.03 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.464 ' CD2' HD22 ' A' ' 66' ' ' LEU . 2.6 t60 -127.13 143.45 51.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.588 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -146.92 179.99 23.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 21.6 tt0 -162.57 149.91 13.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 108' ' ' SER . 1.4 mp -91.92 120.44 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.62 ' O ' HD21 ' A' ' 41' ' ' LEU . 7.2 mmpt? -120.78 43.76 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.3 t -176.5 116.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 173.11 111.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.36 114.8 11.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 96.0 m -155.31 146.31 22.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.397 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.1 t -178.12 40.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.45 150.07 25.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.6 p -107.28 33.48 3.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.034 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -104.47 -10.83 17.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.586 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mt -143.07 149.35 38.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.2 114.32 18.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.0 86.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.72 -62.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 58' ' ' ALA . 24.7 t -62.19 -61.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.98 -31.12 71.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -46.69 73.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.15 -55.01 39.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.458 HG11 ' O ' ' A' ' 60' ' ' CYS . 89.2 t -56.69 -48.78 80.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 50.3 tp -56.59 -45.49 81.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -36.62 78.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.706 ' CE1' ' CG2' ' A' ' 3' ' ' ILE . 8.1 t-160 -65.76 -50.62 64.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.625 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.61 HG13 HD12 ' A' ' 63' ' ' LEU . 1.3 mp -53.03 -47.88 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.695 HD13 ' CE1' ' A' ' 127' ' ' PHE . 21.4 mt -61.51 -37.88 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -52.93 60.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.457 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 1.6 mp0 -55.51 -46.36 76.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.596 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . . . -70.38 -30.57 67.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.544 ' HG3' HG22 ' A' ' 96' ' ' ILE . 0.9 OUTLIER -71.46 -40.04 70.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -29.28 61.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -43.11 40.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.08 52.12 1.67 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.596 ' CD2' ' HA ' ' A' ' 99' ' ' ALA . 22.5 m-85 -74.21 -173.36 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -111.88 -34.58 5.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.05 158.96 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.2 mt -116.43 120.14 37.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.735 ' O ' HD12 ' A' ' 73' ' ' ILE . 64.3 p -101.14 169.02 9.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.962 HD22 ' CD1' ' A' ' 124' ' ' TYR . 1.4 pp -156.82 170.0 23.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -105.48 109.8 21.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.602 HG23 HD13 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -144.27 123.33 12.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.553 ' HA2' HG22 ' A' ' 145' ' ' VAL . . . -142.46 53.11 0.63 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 p 42.05 53.52 4.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.616 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -105.25 134.71 47.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.53 -46.87 70.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 96.4 p -56.67 -28.53 60.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -124.91 39.32 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 2.6 mt-10 -74.92 -50.34 4.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -75.01 -27.25 10.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.0 86.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.449 ' NE ' ' OH ' ' A' ' 131' ' ' TYR . 18.3 ttp-105 -71.82 -35.13 69.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.16 -28.18 60.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 123' ' ' LEU . 2.0 tm? -75.39 -38.91 59.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.962 ' CD1' HD22 ' A' ' 109' ' ' LEU . 4.7 m-85 -63.63 -51.99 62.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.5 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.4 OUTLIER -62.81 -28.07 69.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.7 m -62.83 -14.07 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.695 ' CE1' HD13 ' A' ' 96' ' ' ILE . 53.8 t80 -98.95 -17.47 18.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 132.88 -26.1 3.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 149' ' ' LYS . 12.4 m-85 -34.91 131.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -102.35 147.35 26.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.503 ' CE1' ' CE ' ' A' ' 147' ' ' MET . 15.6 m-85 -79.54 83.58 5.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.445 ' O ' ' O ' ' A' ' 133' ' ' GLU . 89.1 m -153.04 157.8 41.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 108.258 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 132' ' ' CYS . 1.4 tt0 55.88 113.91 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.546 ' O ' ' CG ' ' A' ' 135' ' ' PHE . 18.1 Cg_endo -75.04 177.74 8.2 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.809 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 108' ' ' SER . 13.2 m-85 -173.64 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -40.05 154.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.66 -44.56 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -60.97 175.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -123.15 -168.54 13.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 141' ' ' ASP . 44.4 mt-10 -59.1 153.66 17.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 110.329 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 140' ' ' GLU . 7.7 m-20 163.14 161.55 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 0.27 9.07 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -129.18 58.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.3 t -151.68 178.9 8.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.553 HG22 ' HA2' ' A' ' 112' ' ' GLY . 35.0 m -140.43 179.99 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -154.81 163.73 39.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.792 ' CB ' HD11 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -159.57 129.17 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.048 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.6 t -139.24 148.98 43.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -120.54 146.48 46.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.4 122.38 46.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.555 0.216 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.435 ' NE2' ' HG3' ' A' ' 4' ' ' LYS . 10.0 t-160 -165.15 107.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.582 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.652 HG21 ' CG ' ' A' ' 94' ' ' HIS . 6.7 mm -120.2 137.42 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.435 ' HG3' ' NE2' ' A' ' 2' ' ' HIS . 5.9 mttt -143.46 177.14 8.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.571 HG12 ' CD1' ' A' ' 49' ' ' TRP . 10.9 mt -111.3 131.56 62.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.418 ' OD1' HG11 ' A' ' 13' ' ' VAL . 4.6 t0 -96.18 118.76 33.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 8' ' ' LEU . 4.8 m-20 -125.2 100.77 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 7' ' ' ASP . 2.8 mp 39.67 59.03 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.69 160.78 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 115.62 105.82 2.53 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -56.83 6.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -60.18 -30.66 69.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.859 HG23 ' CH2' ' A' ' 52' ' ' TRP . 2.7 t -74.69 -53.6 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' GLY . 25.2 t -58.85 -45.68 91.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -33.08 59.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -73.23 -44.57 59.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.12 -23.02 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -92.7 -19.93 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.26 166.41 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -53.12 -31.26 41.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.642 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.643 HD12 ' CZ ' ' A' ' 48' ' ' PHE . 1.6 mm? . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -96.64 57.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.6 175.1 28.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.43 9.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.441 1.759 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -60.45 -32.99 71.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.619 HG21 HD13 ' A' ' 41' ' ' LEU . 6.7 mt -114.4 141.15 31.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.594 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 17.7 m -107.87 139.48 42.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.643 ' CZ ' HD12 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -116.74 122.34 44.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.594 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 17.4 m-90 -105.96 135.1 48.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 108.021 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 m -134.64 138.38 44.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.84 ' C ' ' HB3' ' A' ' 58' ' ' ALA . . . -104.67 134.96 46.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.859 ' CH2' HG23 ' A' ' 13' ' ' VAL . 6.6 m95 -117.64 129.52 55.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.595 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 2.1 tt0 -135.47 76.75 1.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.9 -130.15 9.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.53 3.83 27.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -123.63 -177.27 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 13' ' ' VAL . 1.1 mt -76.33 149.61 37.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.84 ' HB3' ' C ' ' A' ' 51' ' ' ALA . . . -111.12 -18.17 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.73 ' HA2' HG21 ' A' ' 78' ' ' THR . . . 152.16 160.37 9.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -136.27 137.45 40.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -138.44 153.95 22.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.518 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . . . -143.34 152.09 41.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.554 ' HG ' ' CH2' ' A' ' 49' ' ' TRP . 1.5 pp -157.59 120.79 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HG3' HD11 ' A' ' 46' ' ' ILE . 8.6 ttpt -99.1 126.77 44.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -41.11 150.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.489 HD13 ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -140.09 -87.91 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -117.02 -175.11 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 t -70.55 -27.29 64.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -136.45 30.5 2.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -135.09 137.14 42.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.578 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.14 165.49 26.62 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.489 ' HG3' HD13 ' A' ' 66' ' ' LEU . 5.1 mt-10 -145.5 148.95 33.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.564 HD11 ' CD2' ' A' ' 107' ' ' LEU . 3.2 mp -118.13 139.27 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.06 47.12 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.13 118.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.537 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -159.25 57.87 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.32 150.65 30.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.73 HG21 ' HA2' ' A' ' 59' ' ' GLY . 15.1 t -173.79 158.79 3.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 p 60.65 152.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.22 52.11 2.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.03 29.09 5.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.96 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -90.31 -7.45 53.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mt -116.53 150.64 37.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -101.89 97.08 7.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 48.58 -173.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.46 -61.02 1.51 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.744 HG12 ' O ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -45.89 -57.05 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.537 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -55.65 -39.04 70.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -48.82 72.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.439 ' HB3' HD11 ' A' ' 3' ' ' ILE . 4.4 mm100 -56.97 -50.31 73.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.462 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 59.9 t -61.23 -54.81 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.814 HD22 HD12 ' A' ' 123' ' ' LEU . 5.8 tp -48.36 -50.87 28.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -43.56 73.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.652 ' CG ' HG21 ' A' ' 3' ' ' ILE . 9.2 t-160 -64.88 -39.56 93.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.646 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.0 mm -57.3 -53.78 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.478 HD12 ' CE1' ' A' ' 127' ' ' PHE . 48.1 mt -60.76 -50.25 81.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -46.4 78.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -59.32 -46.92 87.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.73 -31.06 68.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -59.04 -33.98 71.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -52.68 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -53.57 -40.79 65.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.03 61.18 0.95 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.48 1.113 . . . . 0.0 111.054 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 102' ' ' ARG . 56.5 m-85 -97.91 165.81 11.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.747 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.8 12.16 2.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.27 136.98 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.761 HD12 HD11 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -138.36 139.79 39.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.533 ' O ' HD12 ' A' ' 73' ' ' ILE . 59.6 p -109.67 169.13 8.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.954 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.932 HD23 ' CE1' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -160.11 168.83 24.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.832 ' N ' HD12 ' A' ' 109' ' ' LEU . 1.2 pm0 -104.96 107.38 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.639 ' HB ' HD11 ' A' ' 109' ' ' LEU . 1.6 m -157.51 125.58 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.607 ' HA2' HG22 ' A' ' 145' ' ' VAL . . . -153.49 28.51 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 1.3 m 90.58 -14.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 110.043 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.558 ' HG2' ' CD2' ' A' ' 117' ' ' PHE . 1.6 tpt -36.08 117.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.31 -48.81 65.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -22.51 6.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.558 ' CD2' ' HG2' ' A' ' 114' ' ' MET . 25.1 m-85 -124.96 31.19 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.3 mt-10 -61.67 -50.29 82.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.98 -21.85 15.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.502 1.79 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.94 -46.87 61.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 121' ' ' ARG . 13.2 ttp-105 -66.22 -41.68 89.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -33.31 69.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.366 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.814 HD12 HD22 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -72.23 -38.05 69.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.882 ' CE1' HD13 ' A' ' 109' ' ' LEU . 7.1 m-85 -71.52 -50.46 31.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.465 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 28.9 mt-10 -55.21 -25.05 30.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -21.47 61.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.798 ' CD2' HD23 ' A' ' 92' ' ' LEU . 2.4 m-85 -91.56 -17.12 26.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 117.24 -8.12 16.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.932 ' CE1' HD23 ' A' ' 109' ' ' LEU . 3.5 m-85 -38.21 134.44 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -124.59 166.87 15.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -80.02 137.71 36.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.483 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 0.1 OUTLIER -160.87 -164.71 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.266 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 132' ' ' CYS . 1.9 mp0 -38.64 123.4 1.16 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.99 164.61 33.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.812 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -176.1 -69.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 111.058 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . 39.64 -153.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -93.09 14.97 16.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -144.11 -147.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -140.01 163.89 26.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.97 165.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -177.03 166.6 1.36 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -8.92 20.55 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.444 1.76 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -139.72 69.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.31 178.58 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.607 HG22 ' HA2' ' A' ' 112' ' ' GLY . 5.7 m -150.72 171.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 134' ' ' PRO . 0.7 OUTLIER -146.87 165.48 29.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.956 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.549 ' HB3' HD21 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -158.16 144.53 17.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 132' ' ' CYS . 0.7 OUTLIER -139.06 148.57 43.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.411 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 9.1 tmtm? -105.91 124.03 48.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.16 103.55 13.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.761 HD11 HD12 ' A' ' 107' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.8 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.524 0.202 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.34 111.75 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.634 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.577 HD13 ' CB ' ' A' ' 51' ' ' ALA . 12.0 mm -116.5 136.4 53.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.81 176.74 8.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.517 HG12 ' CD1' ' A' ' 49' ' ' TRP . 41.1 mt -112.94 130.83 66.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -131.93 140.2 48.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.41 103.06 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.59 -173.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 63.92 144.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 100.48 117.41 4.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -55.64 31.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -66.93 -32.11 73.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.5 -49.66 68.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 10' ' ' GLY . 72.5 t -69.94 -49.08 59.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -51.43 -33.08 29.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.881 HD21 ' O ' ' A' ' 77' ' ' ARG . 3.0 tm? -67.92 -42.91 80.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.873 HG22 ' CZ ' ' A' ' 48' ' ' PHE . 75.4 t -67.07 -44.06 88.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.68 -70.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 169.16 99.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -96.68 -51.11 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.597 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 80' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.64 ' HA ' HG21 ' A' ' 46' ' ' ILE . 4.8 mp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 178.07 69.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.21 177.71 37.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 53.96 3.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.47 -41.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.808 HD13 ' HB2' ' A' ' 64' ' ' LYS . 1.4 mm -90.0 135.54 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.504 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 38.2 m -129.34 134.6 47.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.391 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.873 ' CZ ' HG22 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -108.56 120.2 41.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CD1' ' CD2' ' A' ' 94' ' ' HIS . 12.2 m-90 -91.38 132.72 36.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.0 m -122.3 129.85 52.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.701 ' C ' ' HB3' ' A' ' 58' ' ' ALA . . . -99.37 134.55 42.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.535 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 4.0 m95 -123.51 131.94 53.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.008 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.443 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 11.8 tt0 -142.82 76.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.31 -132.47 11.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.04 17.48 24.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -137.3 139.52 40.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.535 HD21 ' CZ3' ' A' ' 52' ' ' TRP . 2.8 mm? -53.65 123.97 13.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.701 ' HB3' ' C ' ' A' ' 51' ' ' ALA . . . -77.22 -15.15 59.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.474 ' CA ' HG13 ' A' ' 87' ' ' VAL . . . 143.57 171.63 13.93 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.438 1.086 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.549 ' HB2' HD12 ' A' ' 16' ' ' LEU . 87.4 m -149.71 157.0 42.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -177.49 152.8 12.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 74' ' ' LYS . . . -107.23 157.58 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.444 HD23 ' CH2' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -154.51 114.89 3.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.808 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -126.45 129.29 48.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -48.01 156.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 72' ' ' GLU . 3.3 mt -129.9 -65.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.28 -168.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -61.37 -42.39 98.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.0 mtt-85 -134.94 36.58 3.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -137.22 135.21 37.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.22 175.11 21.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' HB2' HD12 ' A' ' 66' ' ' LEU . 41.5 tt0 -148.74 159.59 43.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.754 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 73' ' ' ILE . 1.8 mp -109.97 137.59 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 62' ' ' ALA . 8.0 mmpt? -121.63 144.52 48.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 74' ' ' LYS . 58.3 m 42.04 92.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.32 98.05 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.881 ' O ' HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -136.78 138.55 41.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 t -80.41 -175.13 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.3 t -118.45 153.46 34.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.47 ' HB2' HD22 ' A' ' 21' ' ' LEU . . . -95.1 60.38 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.846 ' OG ' HD12 ' A' ' 83' ' ' LEU . 21.6 p -98.1 24.78 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 21.3 m170 65.77 47.64 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.61 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.846 HD12 ' OG ' ' A' ' 81' ' ' SER . 11.0 mt -116.62 159.12 22.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -126.41 105.79 9.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.53 ' HG3' HD23 ' A' ' 123' ' ' LEU . 0.0 OUTLIER 44.32 90.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.43 -62.24 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.627 HG23 HD13 ' A' ' 83' ' ' LEU . 3.2 t -46.87 -61.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.52 -31.43 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -42.36 89.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.43 ' NE2' ' OE1' ' A' ' 53' ' ' GLU . 8.3 mm-40 -57.4 -48.98 77.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.97 -55.1 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.699 ' O ' HD13 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -48.06 -37.17 14.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -41.86 94.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.574 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 33.7 t60 -73.41 -27.02 61.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.42 -47.23 93.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.698 ' CD1' ' CE2' ' A' ' 127' ' ' PHE . 34.3 mt -67.9 -38.64 80.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -45.97 72.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -56.38 -47.66 78.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.629 ' CB ' HD11 ' A' ' 107' ' ' LEU . . . -69.8 -32.82 71.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.76 -38.74 73.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -15.36 61.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.25 -43.08 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.6 44.47 1.14 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.537 ' O ' HD22 ' A' ' 151' ' ' LEU . 3.5 m-30 -95.37 168.82 10.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.48 10.75 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -163.15 160.23 23.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.629 HD11 ' CB ' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -152.72 135.4 15.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.5 p -114.49 167.74 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.658 ' C ' HD12 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -170.26 166.4 8.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.626 ' N ' HD12 ' A' ' 109' ' ' LEU . 1.9 pt-20 -103.42 131.63 50.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.486 ' HB ' HD11 ' A' ' 109' ' ' LEU . 1.4 t -163.34 -178.89 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.785 ' HA2' HG22 ' A' ' 145' ' ' VAL . . . -175.95 -142.97 4.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 p -116.86 0.19 12.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 0.0 109.999 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.564 ' HB3' ' CD2' ' A' ' 117' ' ' PHE . 4.5 tpt -58.74 146.64 36.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.91 -29.37 28.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.6 t -76.53 -30.71 57.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.055 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 11.6 m-85 -105.03 14.67 28.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER -75.08 -53.07 2.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.93 -44.54 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.588 ' O ' ' CD1' ' A' ' 124' ' ' TYR . . . -52.04 -34.87 45.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -79.64 -33.27 41.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.424 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 0.3 OUTLIER -75.08 -26.77 59.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.65 HD13 ' C ' ' A' ' 123' ' ' LEU . 2.3 tm? -76.85 -36.43 56.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 120' ' ' ALA . 7.5 m-85 -70.35 -51.69 28.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.424 ' CG ' ' HA ' ' A' ' 122' ' ' LYS . 0.2 OUTLIER -59.68 -27.01 66.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -18.7 60.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.055 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.698 ' CE2' ' CD1' ' A' ' 96' ' ' ILE . 1.4 t80 -99.28 -17.21 18.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 133.83 -34.87 2.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 10.1 m-85 -33.87 135.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -120.27 153.56 36.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.491 ' HA ' ' O ' ' A' ' 146' ' ' PHE . 5.8 p90 -108.71 107.05 17.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 133' ' ' GLU . 59.3 m -101.87 -164.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 132' ' ' CYS . 2.5 pt-20 -37.09 149.77 0.16 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 159.61 41.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.588 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 3.1 t80 -172.8 -86.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.588 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 40.67 -101.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -137.87 29.56 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -151.53 -173.05 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 111.007 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -118.29 -169.97 14.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -50.28 156.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 110.318 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.1 159.35 3.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -10.38 21.21 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -148.17 69.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 34.3 m -166.47 139.05 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.785 HG22 ' HA2' ' A' ' 112' ' ' GLY . 22.0 m -149.08 -171.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 131' ' ' TYR . 79.0 t80 -153.55 132.31 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.26 138.17 40.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 7.2 t -139.96 133.29 29.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -101.3 132.15 46.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.245 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.84 110.8 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.537 HD22 ' O ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.42 ' HG2' ' NE2' ' A' ' 90' ' ' GLN . 3.5 mtt . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.483 0.182 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 109.08 0.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.776 HD13 ' CB ' ' A' ' 51' ' ' ALA . 24.9 mm -118.82 136.9 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -146.79 178.37 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.556 HG12 ' CD1' ' A' ' 49' ' ' TRP . 38.2 mt -108.06 133.16 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.536 ' OD2' HG11 ' A' ' 13' ' ' VAL . 26.9 t70 -95.17 118.76 32.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -125.09 100.95 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 55.64 168.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 10' ' ' GLY . 0.5 OUTLIER 64.68 168.14 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 9' ' ' THR . . . 100.59 92.2 2.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -50.07 72.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.16 -45.06 94.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.921 HG22 HD11 ' A' ' 57' ' ' LEU . 50.4 t -58.27 -54.38 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.3 t -61.27 -48.2 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -55.8 -36.82 67.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.52 -46.77 68.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.612 HG21 ' CZ ' ' A' ' 48' ' ' PHE . 54.2 t -64.41 -31.92 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -68.05 -64.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 178.94 106.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -96.61 -58.89 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.608 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -170.72 75.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.249 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 174.47 166.02 31.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.44 1.087 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 53.59 3.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.778 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -138.94 -45.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.6 mt -93.36 144.98 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.544 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 13.0 m -113.35 142.86 45.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.437 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.612 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -117.64 123.4 46.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.71 ' CH2' HD23 ' A' ' 63' ' ' LEU . 18.6 m-90 -100.44 151.98 20.91 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.1 m -165.08 145.44 7.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.776 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -103.89 166.09 10.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.478 ' HZ3' HD21 ' A' ' 57' ' ' LEU . 3.1 m95 -143.81 117.74 9.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 108.016 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.591 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 2.7 tt0 -131.64 76.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.88 -129.94 8.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.76 10.8 24.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -130.15 161.84 30.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.921 HD11 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -68.19 121.23 15.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HB2' ' N ' ' A' ' 53' ' ' GLU . . . -78.94 -9.46 59.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.587 ' HA3' HG23 ' A' ' 91' ' ' VAL . . . 152.54 149.58 5.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.544 1.152 . . . . 0.0 110.966 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.611 ' N ' HG21 ' A' ' 91' ' ' VAL . 25.2 p -147.1 158.92 44.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.425 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . -179.1 163.4 30.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.46 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . . . -118.19 144.52 45.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.71 HD23 ' CH2' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -146.27 114.58 6.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HG2' ' CE ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -97.86 151.18 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.79 124.05 28.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.06 -53.8 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 70' ' ' HIS . 3.8 m-20 -145.71 -178.47 6.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.3 t -64.54 -18.09 64.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -144.94 45.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.472 ' CB ' ' OD1' ' A' ' 67' ' ' ASP . 3.0 t-160 -146.44 147.47 31.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.579 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -158.68 135.74 4.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.461 ' O ' ' CE ' ' A' ' 74' ' ' LYS . 7.8 tt0 -127.43 132.41 50.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.764 HG12 HD13 ' A' ' 95' ' ' ILE . 4.0 mp -98.61 145.86 9.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.461 ' CE ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -140.29 59.96 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 t 177.72 155.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.608 ' SD ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 172.91 79.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -121.86 103.85 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.668 HG23 ' HB ' ' A' ' 87' ' ' VAL . 5.3 m -75.36 -97.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.536 ' N ' HG22 ' A' ' 78' ' ' THR . 0.3 OUTLIER -157.72 163.83 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.02 -62.82 0.76 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 p -170.44 37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -74.5 -114.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.623 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.15 152.64 36.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 mmm-85 -106.13 123.3 47.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 40.79 87.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.4 -58.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.668 ' HB ' HG23 ' A' ' 78' ' ' THR . 2.8 t -53.46 -59.43 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.618 ' HB2' ' OG1' ' A' ' 78' ' ' THR . . . -60.31 -35.84 76.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -60.63 -39.55 88.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.42 ' NE2' ' HG2' ' A' ' 1' ' ' MET . 6.0 mt-30 -57.44 -40.92 79.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.611 HG21 ' N ' ' A' ' 60' ' ' CYS . 25.2 t -74.84 -51.05 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.868 HD23 ' CD1' ' A' ' 127' ' ' PHE . 8.0 tp -51.58 -53.89 33.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -30.23 70.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 49' ' ' TRP . 20.5 t-160 -68.92 -57.86 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.631 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.764 HD13 HG12 ' A' ' 73' ' ' ILE . 12.6 mt -53.3 -46.56 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.07 -37.9 64.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -43.31 87.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.03 -47.6 85.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.42 ' HB1' ' CG ' ' A' ' 104' ' ' TYR . . . -69.52 -32.91 72.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.03 -52.25 65.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -53.0 58.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -38.97 93.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . 87.51 75.46 1.28 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.42 ' CG ' ' HB1' ' A' ' 99' ' ' ALA . 3.6 m-85 -83.49 -172.29 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -110.09 -35.16 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -162.97 157.66 21.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.4 mt -117.75 134.08 55.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.481 ' O ' HD12 ' A' ' 73' ' ' ILE . 11.7 m -101.92 166.93 10.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.075 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.978 HD23 ' CE2' ' A' ' 129' ' ' PHE . 4.5 pp -147.43 163.05 37.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.94 103.84 13.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.521 ' O ' ' CZ ' ' A' ' 138' ' ' TYR . 15.1 t -152.73 149.57 28.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . -164.62 28.51 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 1.4 m 91.01 -16.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.7 tpt -38.9 127.16 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.72 75.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.152 . . . . 0.0 109.362 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.87 -21.25 2.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -124.77 29.93 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 6.3 mt-10 -68.65 -50.54 24.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 110.254 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.98 -20.33 17.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.18 90.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.534 ' HA ' ' CD1' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -67.68 -37.74 82.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -31.59 72.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -30.35 58.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.624 ' CD1' HD22 ' A' ' 109' ' ' LEU . 18.9 m-30 -73.07 -50.1 24.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.93 -28.14 67.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.219 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -30.82 48.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.955 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.868 ' CD1' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -82.18 -17.0 47.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.44 82.27 1.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.978 ' CE2' HD23 ' A' ' 109' ' ' LEU . 2.3 m-85 -143.51 135.66 26.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 110.978 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -121.88 151.71 40.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -57.23 140.58 49.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.415 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 1.5 m -161.89 177.14 10.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 108.289 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -56.14 142.22 67.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 114.69 4.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.791 . . . . 0.0 111.037 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -92.87 -33.31 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -44.72 -90.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -154.83 -61.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.521 ' CZ ' ' O ' ' A' ' 111' ' ' THR . 2.8 p90 -44.21 159.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -126.02 -162.12 11.17 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -57.89 163.62 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 167.05 172.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -22.19 15.15 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.47 1.774 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -131.12 59.14 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 31.0 t -144.09 135.04 25.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 10.3 m -134.83 153.84 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 132' ' ' CYS . 0.4 OUTLIER -157.87 148.26 20.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.542 ' CG ' HD21 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -158.54 160.06 36.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.7 t -136.22 155.17 50.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -102.72 132.03 49.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -96.52 117.74 31.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.49 0.186 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.18 108.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.592 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.62 HG21 ' CG ' ' A' ' 94' ' ' HIS . 17.3 mm -119.73 137.28 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.56 176.65 8.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.522 HG12 ' CD1' ' A' ' 49' ' ' TRP . 31.1 mt -108.97 134.52 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 9' ' ' THR . 7.6 t70 -116.5 143.99 44.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -125.22 100.56 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 7' ' ' ASP . 1.0 OUTLIER 39.18 62.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.4 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 1.2 m -160.95 160.9 31.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 99.18 115.07 3.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mmt-85 -63.52 -56.23 17.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -60.88 -45.09 95.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.373 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.601 HG13 ' CB ' ' A' ' 60' ' ' CYS . 7.2 t -61.2 -39.82 83.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 10' ' ' GLY . 9.3 t -72.63 -50.78 31.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -41.39 57.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.686 HD12 ' O ' ' A' ' 77' ' ' ARG . 1.4 mm? -58.63 -44.38 90.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 13' ' ' VAL . 97.7 t -63.43 -49.66 81.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -61.94 -14.54 35.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 55.76 72.52 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -75.25 -44.69 44.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.612 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.837 HD13 ' HB3' ' A' ' 79' ' ' SER . 3.3 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -80.03 56.1 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.01 174.46 21.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.153 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.428 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -75.0 166.43 29.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 44' ' ' PRO . 15.4 pt-20 43.3 54.99 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.555 HD13 ' HB2' ' A' ' 64' ' ' LYS . 6.7 mm -111.75 133.77 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.59 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 51.9 m -134.38 140.16 46.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -119.28 123.45 44.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 19.0 m-90 -100.32 149.29 23.76 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.9 p -144.84 151.41 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.579 ' CB ' ' CD1' ' A' ' 3' ' ' ILE . . . -113.52 149.06 34.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.557 ' CH2' ' CG2' ' A' ' 13' ' ' VAL . 14.3 m95 -143.17 116.65 9.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 108.059 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -129.8 76.64 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.84 -130.06 6.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.71 -4.97 21.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -127.81 154.84 44.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.548 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -53.16 154.1 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 87' ' ' VAL . . . -115.35 4.71 14.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.91 154.16 6.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.601 ' CB ' HG13 ' A' ' 13' ' ' VAL . 21.7 p -145.39 155.94 43.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . 172.13 167.49 32.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.568 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . . . -116.01 172.52 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.97 HD12 HG23 ' A' ' 95' ' ' ILE . 1.7 tt -163.59 118.23 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.555 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -126.3 132.05 51.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -52.57 155.57 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.45 -58.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -135.2 -169.82 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.4 t -61.19 -39.17 89.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.439 ' NH1' ' HB2' ' A' ' 69' ' ' ARG . 20.1 mtm105 -137.17 42.75 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.412 ' NE2' ' OG ' ' A' ' 108' ' ' SER . 8.8 t-80 -146.08 133.06 20.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.548 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -140.28 172.02 23.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -150.1 150.94 32.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.589 HG12 HG21 ' A' ' 95' ' ' ILE . 3.8 mp -109.78 141.48 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.53 -106.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.9 m -47.65 131.74 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.572 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 176.55 83.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.686 ' O ' HD12 ' A' ' 16' ' ' LEU . 20.5 mtt180 -144.22 153.37 41.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 m -163.95 149.86 11.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.837 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.1 OUTLIER 172.1 -156.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HB2' ' CB ' ' A' ' 21' ' ' LEU . . . 68.76 -168.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.7 p -74.87 63.94 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -137.26 -178.76 5.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.1 . . . . 0.0 109.589 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.8 143.73 55.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.44 157.18 34.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 mptt 41.09 88.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.501 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 149.46 -48.9 0.58 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 88' ' ' ALA . 1.1 t -54.4 -61.11 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.572 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -67.64 -38.45 83.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.491 ' HG3' HD11 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -58.85 -35.2 72.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 3.4 mm100 -63.33 -44.91 93.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.5 t -68.09 -52.83 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.4 tp -48.21 -51.14 26.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -36.94 65.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.62 ' CG ' HG21 ' A' ' 3' ' ' ILE . 3.5 t-80 -68.31 -55.49 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.97 HG23 HD12 ' A' ' 63' ' ' LEU . 58.5 mt -53.24 -45.45 55.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.583 HD13 ' CE2' ' A' ' 127' ' ' PHE . 96.4 mt -58.33 -47.61 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -43.49 98.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.53 -49.91 71.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.497 ' HB1' ' CD1' ' A' ' 104' ' ' TYR . . . -66.73 -34.89 78.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -47.04 88.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -50.53 65.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -42.45 41.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.67 53.86 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.497 ' CD1' ' HB1' ' A' ' 99' ' ' ALA . 3.4 m-85 -94.51 163.65 13.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.772 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -139.18 13.21 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.418 ' N ' ' CD1' ' A' ' 151' ' ' LEU . 0.0 OUTLIER -162.82 154.69 18.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.546 HD12 HD21 ' A' ' 151' ' ' LEU . 0.9 OUTLIER -153.33 122.02 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.412 ' OG ' ' NE2' ' A' ' 70' ' ' HIS . 66.1 p -119.6 164.19 16.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.592 ' O ' ' CE2' ' A' ' 146' ' ' PHE . 1.1 pp -174.46 160.39 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.439 ' N ' HD12 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -93.84 124.04 37.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 111' ' ' THR . 7.7 t -172.22 99.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.588 ' C ' HG22 ' A' ' 145' ' ' VAL . . . -83.0 -113.9 0.52 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.7 p -153.93 40.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 109.99 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.61 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -80.4 145.41 32.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.73 -27.3 17.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.4 t -70.58 -38.49 74.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -120.92 40.4 3.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 2.6 mt-10 -72.89 -50.55 6.98 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -75.03 -21.22 16.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.63 -50.2 73.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 45.9 ptt85 -69.42 -33.31 72.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -69.99 -24.99 63.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.491 HD11 ' HG3' ' A' ' 89' ' ' LYS . 17.6 tp -76.49 -29.25 56.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.415 ' C ' ' HB2' ' A' ' 129' ' ' PHE . 14.0 m-30 -72.88 -52.31 15.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.469 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.2 pp20? -58.57 -26.88 64.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.27 -11.34 59.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.973 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.583 ' CE2' HD13 ' A' ' 96' ' ' ILE . 23.6 t80 -99.47 -17.49 17.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 135.73 -33.78 2.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 11.9 m-85 -34.75 151.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.93 150.82 49.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.598 ' CE2' ' SD ' ' A' ' 147' ' ' MET . 29.5 m-85 -92.35 96.55 10.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 133' ' ' GLU . 2.7 m -145.69 141.29 27.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 108.335 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 132' ' ' CYS . 1.3 tt0 57.14 115.14 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.96 178.7 6.9 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.794 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.631 ' CB ' ' CD2' ' A' ' 146' ' ' PHE . 0.1 OUTLIER 173.01 -164.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 135' ' ' PHE . . . 70.3 -63.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 135' ' ' PHE . 0.2 OUTLIER -93.75 5.62 51.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 137' ' ' ASP . 62.6 m-85 57.51 152.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 49.64 179.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.15 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.08 177.98 8.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 174.73 155.31 0.33 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -36.62 2.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.555 1.818 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -114.9 55.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.43 133.4 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.588 HG22 ' C ' ' A' ' 112' ' ' GLY . 11.7 m -146.74 -173.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.631 ' CD2' ' CB ' ' A' ' 135' ' ' PHE . 81.0 t80 -153.34 167.54 29.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -138.12 146.42 42.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 11.7 t -139.31 150.44 45.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -121.44 138.3 54.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.55 103.51 11.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.546 HD21 HD12 ' A' ' 107' ' ' LEU . 2.0 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.452 ' N ' ' OE2' ' A' ' 53' ' ' GLU . 39.0 mtm . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.428 0.156 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.66 108.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.593 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.713 HG21 ' CG ' ' A' ' 94' ' ' HIS . 15.5 mm -119.41 137.44 53.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.23 176.57 11.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.574 HG12 ' CD1' ' A' ' 49' ' ' TRP . 35.0 mt -111.7 133.6 56.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -127.78 142.14 51.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -124.75 101.19 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 40.42 82.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -170.48 128.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.72 116.97 4.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.541 1.15 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.62 -53.84 48.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -65.32 -29.33 70.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.72 HG22 HD11 ' A' ' 57' ' ' LEU . 40.2 t -72.43 -42.21 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.515 HG12 ' ND2' ' A' ' 18' ' ' ASN . 31.9 t -76.51 -44.06 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.2 t -51.52 -35.69 41.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.88 -43.73 82.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.618 HG21 ' HE2' ' A' ' 48' ' ' PHE . 51.3 t -71.92 -23.94 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.515 ' ND2' HG12 ' A' ' 14' ' ' VAL . 4.6 m-80 -80.14 -59.9 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 179.66 105.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -96.26 -58.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.544 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 70.9 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.59 78.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 169.19 166.19 27.82 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 53.32 3.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 46' ' ' ILE . 12.7 pt-20 -139.49 -45.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.432 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 2.6 mt -94.57 129.91 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.425 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 52.0 m -94.82 140.58 29.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.618 ' HE2' HG21 ' A' ' 17' ' ' VAL . 1.4 m-85 -114.6 124.18 51.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CD1' HG12 ' A' ' 5' ' ' ILE . 16.1 m-90 -96.3 123.12 39.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.014 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -104.62 -176.13 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 110.045 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.663 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -173.28 144.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -128.75 127.24 41.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 107.988 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.71 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 4.6 tp10 -132.4 79.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.148 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.61 -133.28 11.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -106.97 21.2 17.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -135.86 137.62 41.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.72 HD11 HG22 ' A' ' 13' ' ' VAL . 3.0 mm? -50.85 107.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.737 ' O ' HG22 ' A' ' 87' ' ' VAL . . . -57.47 -32.83 67.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.464 ' HA3' HG13 ' A' ' 87' ' ' VAL . . . 136.73 175.15 13.64 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.6 p -160.69 149.57 16.76 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.82 177.96 26.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.413 ' HB2' ' CD1' ' A' ' 48' ' ' PHE . . . -148.9 170.12 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.745 ' O ' HD12 ' A' ' 63' ' ' LEU . 4.1 pp -157.59 125.88 5.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -92.13 151.9 20.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.02 109.34 18.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.756 HD13 ' HG2' ' A' ' 72' ' ' GLU . 1.0 OUTLIER -89.24 -76.97 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.9 -176.54 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -75.21 -23.64 57.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' O ' ' CD1' ' A' ' 104' ' ' TYR . 4.8 mtt180 -116.93 -36.56 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -89.07 154.14 20.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.643 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.34 -169.91 15.73 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.756 ' HG2' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -151.69 148.87 28.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 0.791 . . . . 0.0 110.324 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.661 HD11 HD22 ' A' ' 107' ' ' LEU . 3.4 mp -122.44 119.7 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.12 164.26 21.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.553 ' O ' ' CB ' ' A' ' 76' ' ' MET . 0.1 OUTLIER 73.93 165.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.553 ' CB ' ' O ' ' A' ' 75' ' ' SER . 6.1 tmm? 84.82 123.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -150.32 147.87 28.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.4 m -71.51 145.43 49.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.6 m -90.11 -174.06 4.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.69 176.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.33 47.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -147.9 55.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.596 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.537 HD21 HG23 ' A' ' 87' ' ' VAL . 7.7 tt -133.27 157.14 46.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -102.41 131.77 48.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.52 158.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.03 118.11 4.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 58' ' ' ALA . 2.2 t -75.07 -61.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 92' ' ' LEU . . . -59.58 -32.44 70.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -62.72 -32.76 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.49 -54.26 12.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.517 HG11 ' HG3' ' A' ' 76' ' ' MET . 63.7 t -66.11 -49.5 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 44.8 tp -46.58 -44.17 17.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -48.99 79.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.713 ' CG ' HG21 ' A' ' 3' ' ' ILE . 12.5 t60 -67.62 -33.41 74.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.433 HG21 HG21 ' A' ' 73' ' ' ILE . 20.0 mm -60.65 -51.06 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.516 HD12 ' CE1' ' A' ' 127' ' ' PHE . 92.2 mt -67.01 -33.33 62.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -43.96 74.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -55.18 -49.56 71.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.482 ' HB2' HD21 ' A' ' 107' ' ' LEU . . . -66.19 -32.39 73.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -33.43 75.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -68.4 -52.93 27.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -39.44 91.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.03 61.54 1.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.418 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 4.3 m-85 -82.8 -178.72 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -93.77 -39.71 10.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -163.21 161.02 24.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.661 HD22 HD11 ' A' ' 73' ' ' ILE . 13.4 mt -109.31 126.31 53.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.478 ' O ' HD12 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -116.72 143.77 45.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.597 ' O ' ' CE1' ' A' ' 146' ' ' PHE . 1.1 pp -160.64 145.77 14.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -79.02 127.37 31.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.434 HG21 ' HB2' ' A' ' 147' ' ' MET . 1.4 t -162.56 64.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.376 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -43.08 -94.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 m -177.72 36.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.51 144.77 41.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.43 -27.02 22.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.3 m -65.58 -41.11 93.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.982 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -121.82 35.58 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.501 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.3 mt-10 -65.36 -51.4 52.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -74.98 -20.93 16.42 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.561 1.821 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.79 -51.01 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.51 ' HA ' ' CD1' ' A' ' 124' ' ' TYR . 22.2 ptt180 -67.02 -32.73 74.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 119' ' ' PRO . 0.8 OUTLIER -71.84 -25.6 62.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.502 ' C ' HD23 ' A' ' 123' ' ' LEU . 3.2 tt -78.14 -26.93 48.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.51 ' CD1' ' HA ' ' A' ' 121' ' ' ARG . 15.7 m-30 -74.38 -52.74 11.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.478 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.0 OUTLIER -55.65 -33.46 64.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -14.69 63.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.516 ' CE1' HD12 ' A' ' 96' ' ' ILE . 2.0 t80 -98.14 -17.27 19.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 134.71 -34.15 2.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 0.5 OUTLIER -35.33 143.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -120.72 153.97 36.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.641 ' CZ ' ' CE ' ' A' ' 147' ' ' MET . 66.6 m-85 -96.05 127.41 42.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.0 p 175.38 155.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 55.67 102.6 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.346 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -74.97 61.5 5.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 146' ' ' PHE . 0.9 OUTLIER -63.43 -159.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 135' ' ' PHE . . . 71.31 158.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' ALA . 0.0 OUTLIER -37.69 -49.59 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.456 ' CD2' ' C ' ' A' ' 138' ' ' TYR . 8.0 p90 -79.46 146.48 32.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -113.8 -151.62 10.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -46.94 163.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.56 165.71 0.53 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.48 18.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 143' ' ' ASN . 5.6 t30 -148.4 78.67 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.69 129.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.93 154.24 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 109' ' ' LEU . 62.5 t80 -109.13 167.32 10.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.641 ' CE ' ' CZ ' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -134.87 135.38 41.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 4.3 t -139.28 138.08 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -111.45 149.97 30.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -113.56 121.35 43.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 46.1 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.471 ' CB ' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.557 0.218 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.98 119.39 31.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.566 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.493 HG21 ' CG ' ' A' ' 94' ' ' HIS . 1.1 mt -90.84 132.93 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.59 178.03 8.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.538 HG13 ' CD1' ' A' ' 49' ' ' TRP . 3.0 mt -88.69 140.81 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -138.78 122.23 17.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -117.76 114.3 23.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 71.78 -69.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -39.88 104.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.96 104.97 1.66 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -56.79 4.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -59.06 -25.61 63.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 t -73.8 -46.38 47.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -73.11 -47.1 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.3 -39.03 56.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' C ' HD13 ' A' ' 16' ' ' LEU . 3.4 tm? -63.83 -43.38 96.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.739 HG11 ' CZ ' ' A' ' 48' ' ' PHE . 69.5 t -69.54 -26.71 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -69.2 -12.87 62.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 54.86 89.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -87.01 -55.85 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.425 HD23 ' CE2' ' A' ' 48' ' ' PHE . 8.0 mp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -172.53 104.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 177.71 162.15 27.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 53.39 3.32 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 175.31 39.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 64' ' ' LYS . 10.6 mm -118.66 131.6 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.599 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 46.1 m -117.78 139.1 51.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.739 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -119.58 128.35 53.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.599 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 16.7 m-90 -103.35 166.54 10.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 107.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.419 ' CA ' ' SG ' ' A' ' 60' ' ' CYS . 22.8 p -142.19 143.14 32.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.15 134.05 55.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.471 ' O ' ' CB ' ' A' ' 1' ' ' MET . 6.1 m95 -124.26 139.01 54.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.56 ' OE2' HD21 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -153.63 75.88 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.67 -129.68 5.26 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.17 -1.5 15.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -131.35 160.3 35.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.918 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -64.02 130.95 46.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.641 ' HB1' HG22 ' A' ' 87' ' ' VAL . . . -78.92 -37.52 39.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.535 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 130.4 -156.97 21.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' CA ' ' A' ' 50' ' ' SER . 0.0 OUTLIER 170.19 -161.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.55 -137.0 2.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.97 158.96 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 49' ' ' TRP . 2.1 tt -164.35 114.91 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 4.5 tttt -121.64 142.15 50.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -74.75 141.33 44.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.744 HD13 ' HG2' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -115.85 -68.03 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.96 -158.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.3 p -79.58 -47.88 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 105' ' ' GLU . 31.9 ptt180 -127.97 32.62 4.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -147.14 126.41 13.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.78 -167.47 11.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.744 ' HG2' HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -148.15 152.4 37.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.784 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.752 HD11 HD22 ' A' ' 107' ' ' LEU . 2.4 mp -117.58 146.18 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -156.74 147.08 21.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.7 OUTLIER 82.85 117.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.983 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.408 ' CE ' HD23 ' A' ' 92' ' ' LEU . 10.9 ttt -160.32 111.07 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 110.962 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.16 134.49 54.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 83.3 m -56.73 -107.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.407 ' HB3' HD13 ' A' ' 83' ' ' LEU . 0.6 OUTLIER 171.63 125.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 40.4 40.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.64 -70.84 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -124.86 137.56 54.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.6 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.809 HD22 HG23 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -142.59 160.14 40.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.665 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -90.73 158.97 16.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.344 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 84' ' ' ARG . 0.4 OUTLIER 82.45 -66.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 127.21 101.71 1.16 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.809 HG23 HD22 ' A' ' 83' ' ' LEU . 2.2 t -74.92 -59.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.62 -31.16 24.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -65.67 -34.27 77.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.421 ' NE2' ' HB3' ' A' ' 53' ' ' GLU . 0.3 OUTLIER -71.71 -48.01 50.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.1 t -57.2 -49.11 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.671 HD21 ' CE1' ' A' ' 124' ' ' TYR . 0.2 OUTLIER -55.48 -50.04 70.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -38.09 79.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.493 ' CG ' HG21 ' A' ' 3' ' ' ILE . 2.9 t60 -73.99 -32.61 63.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -44.2 98.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 45.0 mt -70.4 -40.72 77.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.86 -44.42 73.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.518 ' HG3' ' CE2' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -57.75 -50.57 72.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.349 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.4 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . . . -65.84 -31.52 72.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.77 -32.85 74.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.59 -53.02 31.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -41.31 77.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.75 69.55 1.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' A' ' 99' ' ' ALA . 49.5 m-85 -87.96 154.66 20.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 0.721 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -63.86 -44.48 92.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 149' ' ' LYS . 0.0 OUTLIER -161.45 160.27 29.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 73' ' ' ILE . 9.0 mt -108.18 121.51 45.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.7 p -101.02 168.5 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.607 HD22 ' CZ ' ' A' ' 124' ' ' TYR . 0.9 OUTLIER -161.12 178.35 9.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.511 ' HA ' ' HB2' ' A' ' 136' ' ' ALA . 8.3 mt-10 -104.63 113.8 27.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.4 131.57 9.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.84 45.12 0.66 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.547 ' N ' HG22 ' A' ' 145' ' ' VAL . 90.8 p 50.98 51.13 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.541 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -100.82 136.28 40.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.56 -29.02 35.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.6 t -72.23 -31.63 66.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -124.24 40.98 3.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.1 tt0 -70.76 -51.0 12.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.98 -19.94 17.39 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.515 ' O ' ' CD2' ' A' ' 124' ' ' TYR . . . -60.74 -51.16 70.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 118' ' ' GLU . 3.4 ptm180 -63.05 -33.83 76.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -71.81 -36.82 70.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.8 tp -75.51 -35.48 60.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.671 ' CE1' HD21 ' A' ' 92' ' ' LEU . 10.8 m-85 -67.71 -52.0 42.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.472 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.3 OUTLIER -61.17 -30.65 70.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.9 t -70.82 -12.71 61.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -95.29 -14.41 23.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.16 -35.13 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 24.6 m-85 -40.15 139.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.99 148.81 50.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.468 ' CE1' ' HB ' ' A' ' 145' ' ' VAL . 7.6 m-85 -60.39 144.44 50.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.9 -176.06 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -39.21 158.68 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.469 ' HA ' ' CG ' ' A' ' 146' ' ' PHE . 18.1 Cg_endo -75.04 175.57 11.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 136' ' ' ALA . 5.2 m-85 -159.28 -41.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.511 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . . . -50.98 -178.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.37 33.55 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.404 ' O ' ' O ' ' A' ' 139' ' ' GLY . 0.9 OUTLIER -111.75 13.86 21.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . 37.84 -157.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -80.07 159.72 26.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 176.34 136.02 0.19 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.29 21.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -113.5 56.48 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.7 m -167.15 149.1 5.97 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.467 1.104 . . . . 0.0 109.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.547 HG22 ' N ' ' A' ' 113' ' ' SER . 9.1 m -114.48 165.77 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.469 ' CG ' ' HA ' ' A' ' 134' ' ' PRO . 83.5 m-85 -159.66 137.54 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.9 OUTLIER -140.35 146.07 37.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 12.4 t -121.39 154.66 36.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 31.6 tptt -101.3 142.49 32.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -100.33 116.53 32.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.469 0.176 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 109.19 18.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.615 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.95 HG21 ' CG ' ' A' ' 94' ' ' HIS . 34.3 mm -118.82 137.01 54.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -145.26 174.4 11.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.2 mt -105.84 127.24 61.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -116.37 131.09 57.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.89 100.87 7.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 57.62 174.69 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 64.29 151.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.21 102.43 2.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -55.69 31.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -55.25 -34.03 63.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 17' ' ' VAL . 97.1 t -74.86 -45.31 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.08 -52.84 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -50.69 -50.17 55.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.957 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.36 -47.25 82.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 13' ' ' VAL . 24.9 t -55.96 -34.78 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -73.39 -43.97 59.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 61.6 125.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -95.94 -34.2 11.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' A' ' 80' ' ' ALA . 2.7 mp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.528 HD13 HG21 ' A' ' 46' ' ' ILE . 2.2 mm? . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -95.12 55.82 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.29 177.32 31.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.54 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -46.22 -43.35 15.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.528 HG21 HD13 ' A' ' 41' ' ' LEU . 5.0 mt -105.81 154.67 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.499 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 32.5 m -130.85 139.25 50.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CZ ' ' O ' ' A' ' 61' ' ' GLY . 2.2 t80 -111.96 118.05 34.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.73 ' CH2' HD22 ' A' ' 63' ' ' LEU . 21.1 m-90 -93.08 138.73 31.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 107.985 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.5 m -139.16 131.94 29.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.814 ' C ' ' HB3' ' A' ' 58' ' ' ALA . . . -94.1 140.58 29.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.459 ' N ' ' HB3' ' A' ' 58' ' ' ALA . 21.0 m95 -124.48 123.59 40.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 107.987 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.668 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 1.1 tp10 -137.04 76.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.07 -127.76 7.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.25 15.45 19.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.83 170.36 16.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.506 HD11 ' HA ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -61.72 145.0 53.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.814 ' HB3' ' C ' ' A' ' 51' ' ' ALA . . . -112.92 -19.32 11.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.632 ' HA2' HG13 ' A' ' 87' ' ' VAL . . . 172.91 136.09 2.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.2 p -133.65 155.62 49.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.562 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . . . 172.26 -164.55 37.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -143.2 162.73 34.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.73 HD22 ' CH2' ' A' ' 49' ' ' TRP . 1.9 tt -160.92 117.38 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.455 ' N ' ' HZ1' ' A' ' 74' ' ' LYS . 3.3 tttt -121.51 142.61 49.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 143.39 56.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 66' ' ' LEU . 2.8 mt -119.75 -63.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -137.97 179.47 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 t -52.27 -33.56 42.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -141.95 44.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -139.88 138.89 36.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.572 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.61 161.41 27.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' HB3' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -150.85 151.97 33.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 110.347 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 62' ' ' ALA . 3.2 mp -122.65 143.32 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.455 ' HZ1' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -138.0 46.88 2.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.6 t -171.06 104.81 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.95 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.459 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -136.32 105.45 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -114.27 134.39 54.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.6 m -153.89 152.38 30.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.448 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.6 t 59.93 61.96 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.951 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.453 ' HA ' HD11 ' A' ' 21' ' ' LEU . . . -87.04 81.42 8.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.08 -59.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 174.44 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.561 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 84' ' ' ARG . 19.3 tp -132.32 157.4 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.413 ' N ' ' HG ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -91.13 158.99 16.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.0 mptt 67.99 -177.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . -105.71 127.78 9.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.632 HG13 ' HA2' ' A' ' 59' ' ' GLY . 53.0 t -74.77 -61.05 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.459 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -69.46 -30.21 68.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -48.35 71.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.529 HE21 ' HB1' ' A' ' 58' ' ' ALA . 7.1 mm100 -56.7 -42.21 78.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.4 t -75.34 -53.39 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.722 HD23 ' CD1' ' A' ' 127' ' ' PHE . 31.7 tp -47.55 -46.74 28.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -46.54 72.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.95 ' CG ' HG21 ' A' ' 3' ' ' ILE . 81.0 t60 -69.4 -41.22 76.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.542 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.676 HG23 HD12 ' A' ' 63' ' ' LEU . 13.8 mt -58.97 -47.65 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.64 HG21 ' HE3' ' A' ' 149' ' ' LYS . 53.4 mt -63.93 -34.36 67.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -38.14 72.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -62.64 -47.12 85.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.418 ' HA ' ' CD1' ' A' ' 104' ' ' TYR . . . -70.74 -31.39 68.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.2 -44.61 97.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.167 . . . . 0.0 110.335 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -52.31 65.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.06 -35.92 82.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.6 60.78 2.04 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 12.1 m-85 -69.2 -173.42 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 111.035 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.89 -42.67 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.19 160.67 24.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.713 ' HB2' HD11 ' A' ' 151' ' ' LEU . 5.5 tp -117.99 121.8 41.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.4 ' O ' HD12 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -109.04 168.6 9.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.609 ' O ' ' CE1' ' A' ' 146' ' ' PHE . 1.6 pp -168.27 174.73 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -96.79 134.7 39.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.569 ' HA ' ' CD1' ' A' ' 117' ' ' PHE . 5.9 t -173.67 135.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.452 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 145' ' ' VAL . . . -124.46 -134.2 4.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.2 p -128.09 31.13 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.571 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -89.68 175.63 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.64 -27.37 58.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.2 t -77.14 -30.58 55.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.569 ' CD1' ' HA ' ' A' ' 111' ' ' THR . 13.9 m-85 -96.64 -28.4 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.48 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.2 OUTLIER -38.81 -55.94 2.56 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -75.0 -35.81 2.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.554 ' HB3' ' HA ' ' A' ' 117' ' ' PHE . . . -56.87 -49.42 75.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.547 ' HA ' ' CD2' ' A' ' 124' ' ' TYR . 5.0 ttp-105 -65.29 -33.47 76.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -27.41 65.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -28.07 62.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.574 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 23.0 m-30 -75.55 -53.34 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.54 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.9 pp20? -54.33 -27.7 37.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.03 -17.25 47.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.722 ' CD1' HD23 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -99.26 -17.68 17.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.473 ' O ' ' CG ' ' A' ' 149' ' ' LYS . . . 113.34 66.66 0.48 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 9.9 m-85 -133.51 125.71 29.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -97.72 153.85 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 146' ' ' PHE . 22.0 m-85 -72.63 142.08 48.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.45 -171.05 3.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.331 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -69.68 159.83 82.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.97 7.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.799 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.574 ' HB2' ' CE1' ' A' ' 146' ' ' PHE . 0.2 OUTLIER -108.64 -40.64 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -43.39 161.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -41.8 -43.81 3.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -50.18 125.54 12.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -89.64 170.78 37.15 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -43.5 161.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.435 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.2 OUTLIER 179.65 174.46 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.3 Cg_endo -75.02 1.99 7.14 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -155.53 79.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.23 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 33.6 p -141.45 142.28 33.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 112' ' ' GLY . 14.0 m -146.27 172.18 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.609 ' CE1' ' O ' ' A' ' 109' ' ' LEU . 47.8 t80 -161.78 167.42 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.586 ' O ' ' CE2' ' A' ' 146' ' ' PHE . 3.2 mmt -136.21 146.71 47.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.1 t -139.33 135.64 33.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.64 ' HE3' HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -108.02 130.75 55.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.77 121.76 36.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 107' ' ' LEU . 1.7 mp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mtt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.515 0.198 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 52' ' ' TRP . 42.8 m-70 -60.48 108.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.6 HD13 ' CB ' ' A' ' 51' ' ' ALA . 5.2 mm -119.49 136.94 55.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -143.94 174.57 10.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 48' ' ' PHE . 6.6 mt -105.73 135.94 41.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -106.5 128.72 54.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -125.03 100.92 6.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mp 56.07 167.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 10' ' ' GLY . 0.4 OUTLIER 71.1 170.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.478 ' N ' HG23 ' A' ' 9' ' ' THR . . . 95.65 109.29 2.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -72.95 -56.33 5.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.507 ' O ' HD13 ' A' ' 16' ' ' LEU . 12.4 mp0 -63.4 -29.56 70.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.556 HG22 HD11 ' A' ' 57' ' ' LEU . 50.6 t -74.54 -40.69 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -74.41 -47.11 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.19 -35.48 49.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.649 HD11 ' HA ' ' A' ' 79' ' ' SER . 3.4 mp -67.18 -36.44 81.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.414 HG13 ' OG ' ' A' ' 75' ' ' SER . 71.8 t -72.8 -46.85 51.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -56.02 -36.85 68.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.32 107.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -96.57 -35.09 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.584 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -158.66 75.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 176.38 -177.24 47.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -42.46 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -46.8 -29.89 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.1 mt -113.97 136.45 50.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.47 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 87.8 m -114.42 136.04 53.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.654 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -117.3 130.3 56.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.003 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.573 ' CD1' HG12 ' A' ' 5' ' ' ILE . 17.6 m-90 -104.38 141.15 36.85 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.7 m -134.22 125.68 28.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.6 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -91.9 130.73 37.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.407 ' CH2' HG21 ' A' ' 13' ' ' VAL . 2.1 m95 -125.14 136.31 53.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 107.955 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 2.1 tp10 -146.16 76.54 1.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.25 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.86 -126.18 7.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.42 8.08 21.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.279 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -127.47 159.98 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.556 HD11 HG22 ' A' ' 13' ' ' VAL . 3.9 mm? -69.47 124.37 23.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HB1' ' NE2' ' A' ' 90' ' ' GLN . . . -88.38 6.89 35.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.715 ' HA2' HG22 ' A' ' 87' ' ' VAL . . . 135.07 159.81 8.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.714 ' C ' HG21 ' A' ' 91' ' ' VAL . 26.5 p -145.99 158.59 43.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.71 ' HA3' HG11 ' A' ' 91' ' ' VAL . . . 170.63 -179.11 42.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.654 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . . . -155.0 175.75 13.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.566 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 1.5 pp -157.79 114.79 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -90.25 141.73 28.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -62.38 152.89 32.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.441 HD12 ' HG2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -134.58 -68.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.461 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -133.23 179.62 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.7 p -60.05 -30.05 68.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -136.3 40.14 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 2.4 t-160 -147.43 140.25 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.542 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -145.81 170.08 27.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' C ' HD13 ' A' ' 73' ' ' ILE . 16.1 pt-20 -134.31 176.79 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.46 HG12 ' CB ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -114.54 113.47 43.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.594 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 3.2 mmpt? -104.67 117.58 34.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.414 ' OG ' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER 65.35 129.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.869 ' HE2' ' HB1' ' A' ' 88' ' ' ALA . 4.5 ttt -172.64 103.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.423 ' O ' HG11 ' A' ' 87' ' ' VAL . 1.8 mpt_? -147.19 159.13 43.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.492 ' HA ' HG11 ' A' ' 87' ' ' VAL . 59.1 m -93.27 148.08 22.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.649 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -42.09 -53.12 4.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.038 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -168.78 34.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.94 33.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -140.48 40.7 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 85' ' ' LYS . 7.3 tt -127.33 156.66 41.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.95 97.09 5.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.424 ' HB2' HD21 ' A' ' 83' ' ' LEU . 0.0 OUTLIER 177.94 -54.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.0 90.81 1.64 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.715 HG22 ' HA2' ' A' ' 59' ' ' GLY . 1.9 t -67.45 -61.22 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.869 ' HB1' ' HE2' ' A' ' 76' ' ' MET . . . -65.21 -32.1 73.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.837 ' HG3' HD21 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -64.75 -47.78 76.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.435 ' NE2' ' HB1' ' A' ' 58' ' ' ALA . 3.8 mm-40 -60.46 -48.65 80.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.714 HG21 ' C ' ' A' ' 60' ' ' CYS . 78.0 t -64.79 -55.22 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.733 HD23 ' CG ' ' A' ' 127' ' ' PHE . 12.2 tp -47.48 -41.99 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -49.03 71.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.594 ' CG ' HG21 ' A' ' 3' ' ' ILE . 3.0 t-160 -67.46 -40.3 85.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.576 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 mt -57.19 -47.77 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.661 HD12 ' CE1' ' A' ' 127' ' ' PHE . 67.4 mt -67.64 -36.12 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -45.23 80.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.29 -47.08 82.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 104' ' ' TYR . . . -69.81 -33.58 72.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.94 -33.7 74.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.04 -50.85 25.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -37.5 85.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.86 67.23 1.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 14.3 m-85 -79.47 -176.79 5.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 0.795 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -114.16 -31.0 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.98 156.59 19.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.65 118.16 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.538 ' OG ' ' CD2' ' A' ' 135' ' ' PHE . 9.5 m -100.82 169.28 9.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.779 HD11 HG22 ' A' ' 111' ' ' THR . 0.4 OUTLIER -164.35 169.89 16.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 4.2 pt-20 -100.68 102.91 14.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.779 HG22 HD11 ' A' ' 109' ' ' LEU . 68.1 p -102.08 -133.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.847 ' O ' HG22 ' A' ' 145' ' ' VAL . . . 135.01 -170.04 23.03 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.464 1.103 . . . . 0.0 110.96 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.1 t -114.91 51.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.976 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.563 ' HB2' ' CD2' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -98.13 172.76 7.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.506 ' O ' ' CD ' ' A' ' 119' ' ' PRO . . . -75.78 -39.51 56.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.8 t -77.85 -16.81 58.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 114' ' ' MET . 6.2 m-85 -99.68 -39.26 8.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.509 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.3 OUTLIER -37.49 -57.39 1.48 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -74.97 -27.84 9.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.548 1.815 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 117' ' ' PHE . . . -56.07 -51.64 67.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 122' ' ' LYS . 14.0 ptt180 -59.7 -32.48 70.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.451 ' N ' ' HG2' ' A' ' 121' ' ' ARG . 0.3 OUTLIER -67.14 -28.39 68.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.837 HD21 ' HG3' ' A' ' 89' ' ' LYS . 0.5 OUTLIER -73.16 -42.66 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.567 ' HE2' HD13 ' A' ' 92' ' ' LEU . 7.5 m-85 -63.18 -51.41 66.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.491 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 28.5 mt-10 -50.5 -38.98 47.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.4 t -62.02 -13.22 23.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.039 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.733 ' CG ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -98.36 -17.65 18.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 127.4 -22.82 5.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.684 ' HE1' HD21 ' A' ' 92' ' ' LEU . 12.6 m-85 -36.13 152.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -132.1 162.92 29.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.402 ' O ' ' SG ' ' A' ' 132' ' ' CYS . 0.6 OUTLIER -88.15 145.26 26.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 131' ' ' TYR . 0.9 OUTLIER 177.85 175.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 108.256 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -41.78 151.33 0.32 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.569 ' HG3' ' CE1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -75.0 -166.0 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.472 1.775 . . . . 0.0 110.95 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 134' ' ' PRO . 35.2 m-85 -169.5 -39.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.472 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . . . -38.47 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -173.31 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -68.87 126.78 30.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -103.91 -149.55 20.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.5 161.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.76 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 179.37 158.63 0.72 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -16.35 20.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -152.65 78.78 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.18 133.18 3.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.847 HG22 ' O ' ' A' ' 112' ' ' GLY . 12.5 m -107.06 169.98 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 134' ' ' PRO . 13.5 m-85 -140.12 131.83 27.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 111.073 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.767 ' HB3' HG21 ' A' ' 111' ' ' THR . 1.3 ttm -123.54 148.06 46.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.46 156.99 47.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . 7.9 tmtm? -116.56 137.7 51.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.25 124.39 51.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.51 0.195 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.761 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.1 t60 -164.48 109.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.761 HD12 ' C ' ' A' ' 2' ' ' HIS . 1.6 mp -118.36 136.99 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -127.17 176.52 7.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.7 mt -110.78 110.81 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -109.7 136.44 49.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -121.72 103.33 8.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 43.02 75.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -169.01 143.65 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.45 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.75 114.68 3.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -66.88 -53.99 26.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.5 -32.22 73.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.0 t -73.74 -48.97 37.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 t -67.14 -39.27 82.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -60.03 -44.99 94.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.028 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.749 HD12 ' CG ' ' A' ' 20' ' ' HIS . 1.3 tp -62.96 -44.25 96.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 t -66.32 -23.39 31.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -83.63 -66.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 2.9 pt-20 -177.91 105.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.749 ' CG ' HD12 ' A' ' 16' ' ' LEU . 1.4 t60 -92.49 -57.28 2.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.576 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 mp -77.0 -59.91 2.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 47.28 53.36 10.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.58 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.3 p -54.79 159.9 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -81.24 157.69 25.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.9 p -106.66 140.75 39.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.92 6.61 16.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ttt -160.31 117.29 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.2 p -144.94 95.57 5.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.1 Cg_endo -75.07 152.82 40.91 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.494 1.786 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 29' ' ' PRO . 18.3 Cg_endo -75.03 119.04 5.47 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -173.21 -67.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 p -156.39 86.96 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 tt -107.04 42.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -162.58 70.2 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.621 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.88 121.88 3.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -140.78 -62.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.18 56.27 0.1 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 mp -57.55 -54.22 49.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.777 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -84.9 54.21 3.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -130.53 -70.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.67 HD23 ' CE2' ' A' ' 48' ' ' PHE . 3.6 mp -66.29 -36.57 83.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -85.75 62.7 7.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.91 -174.45 14.07 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 176.37 10.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 39.09 46.61 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.251 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.637 HG21 ' O ' ' A' ' 41' ' ' LEU . 5.9 mm -130.62 139.2 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.576 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 45.4 m -137.19 131.21 32.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.67 ' CE2' HD23 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -108.03 124.2 49.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.606 ' CH2' HD22 ' A' ' 63' ' ' LEU . 8.8 m-90 -98.45 130.18 45.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.011 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.424 ' O ' HG23 ' A' ' 3' ' ' ILE . 17.3 m -100.62 157.94 16.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.591 ' HB2' HG22 ' A' ' 91' ' ' VAL . . . -132.51 116.32 16.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.413 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 11.7 m95 -115.6 118.73 33.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 4.6 tt0 -111.34 76.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.74 -131.42 9.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.97 -10.41 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.255 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.88 161.59 19.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.78 ' C ' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -67.53 144.4 55.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.605 ' N ' HD22 ' A' ' 57' ' ' LEU . . . -103.33 -32.33 9.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 163.86 -169.73 38.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.23 -175.11 4.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.39 151.15 11.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.86 153.7 26.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.606 HD22 ' CH2' ' A' ' 49' ' ' TRP . 3.2 tt -155.98 126.68 6.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.87 136.89 51.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.51 144.48 54.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mp -126.27 -67.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.14 -176.53 3.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 t -65.8 -29.44 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -140.21 35.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -133.99 133.39 41.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.598 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.91 155.36 21.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.28 141.03 35.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.722 HG12 HG21 ' A' ' 95' ' ' ILE . 2.9 mp -118.47 144.4 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -150.24 65.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER 165.72 136.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.987 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.489 ' CE ' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER 174.97 130.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.459 ' C ' ' HG1' ' A' ' 78' ' ' THR . 7.3 mmt180 -115.74 157.05 24.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.459 ' HG1' ' C ' ' A' ' 77' ' ' ARG . 93.5 m -153.77 159.79 42.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.395 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 78' ' ' THR . 0.6 OUTLIER 80.31 -68.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.026 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 56.69 -155.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.41 -65.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 172.48 72.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.631 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 83' ' ' LEU . 3.5 pp -130.59 150.43 51.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.28 132.87 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 tttt 178.26 -65.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.94 58.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 49.1 t -48.29 -60.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.478 ' HB1' ' HE2' ' A' ' 76' ' ' MET . . . -54.98 -40.97 70.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.752 ' HG3' HD21 ' A' ' 123' ' ' LEU . 5.4 mttt -59.33 -44.55 92.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.72 -50.57 72.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.591 HG22 ' HB2' ' A' ' 51' ' ' ALA . 91.2 t -64.69 -54.95 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.038 HD23 ' CD1' ' A' ' 127' ' ' PHE . 13.2 tp -47.03 -33.03 4.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -43.27 87.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.725 ' CG ' HG21 ' A' ' 3' ' ' ILE . 10.8 t-80 -69.96 -33.14 71.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.722 HG21 HG12 ' A' ' 73' ' ' ILE . 27.6 mm -60.85 -50.87 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.593 HD12 ' CE2' ' A' ' 127' ' ' PHE . 65.9 mt -67.92 -43.16 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.78 -48.09 83.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -54.65 -44.92 73.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 104' ' ' TYR . . . -70.78 -30.86 67.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -46.12 88.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -50.77 72.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -57.61 -42.36 83.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.84 49.68 0.72 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.509 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 3.3 m-85 -89.48 163.06 15.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -136.13 11.31 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.59 150.65 19.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.55 129.82 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.528 ' O ' HD12 ' A' ' 73' ' ' ILE . 15.8 m -100.94 167.23 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.976 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.631 HD12 ' CD2' ' A' ' 124' ' ' TYR . 2.2 pt? -158.15 162.76 37.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.456 ' HA ' ' HB2' ' A' ' 136' ' ' ALA . 11.9 pt-20 -105.05 109.64 21.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.6 p -126.27 -167.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.413 ' O ' HG22 ' A' ' 145' ' ' VAL . . . 166.05 -94.23 0.11 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.405 ' O ' ' OG ' ' A' ' 113' ' ' SER . 21.7 p -179.19 80.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.574 ' CE ' ' HA ' ' A' ' 114' ' ' MET . 0.2 OUTLIER -136.08 173.9 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.14 -36.2 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.34 -25.85 46.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.487 ' HA ' ' HB3' ' A' ' 120' ' ' ALA . 6.1 m-30 -94.96 -32.46 13.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 114' ' ' MET . 0.8 OUTLIER -37.64 -53.84 2.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -75.03 -37.48 1.99 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.81 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 117' ' ' PHE . . . -53.9 -43.52 69.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -64.72 -32.99 74.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -35.62 65.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.752 HD21 ' HG3' ' A' ' 89' ' ' LYS . 2.3 tm? -63.21 -45.52 91.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.631 ' CD2' HD12 ' A' ' 109' ' ' LEU . 34.3 m-85 -63.6 -50.92 67.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.516 ' CG ' ' HE1' ' A' ' 147' ' ' MET . 1.4 mm-40 -58.68 -21.64 55.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.0 t -85.06 -12.34 53.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 1.038 ' CD1' HD23 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -98.5 -17.07 18.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 115.34 55.11 0.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 9.7 m-85 -114.33 131.63 56.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 0.755 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -116.81 150.46 38.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -58.78 148.77 28.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.15 -168.23 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.73 140.73 97.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.495 ' HA ' ' CD1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -75.03 159.34 41.37 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.488 1.783 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.491 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 8.8 t80 -161.43 -88.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 39.79 -156.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -101.76 39.1 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -154.15 -177.44 6.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -115.82 159.47 13.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.56 170.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -171.84 165.61 4.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -22.8 14.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -124.58 62.23 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.0 m -158.07 128.96 6.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.961 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 112' ' ' GLY . 2.8 m -115.69 147.34 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.495 ' CD1' ' HA ' ' A' ' 134' ' ' PRO . 16.9 m-85 -139.0 153.86 48.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.516 ' HE1' ' CG ' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -151.83 174.21 13.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.3 t -139.1 151.25 46.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -98.72 124.23 43.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -108.0 114.44 28.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.428 HD13 ' O ' ' A' ' 104' ' ' TYR . 2.0 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.506 ' O ' ' CD2' ' A' ' 2' ' ' HIS . 2.6 mmt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.504 0.192 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 1' ' ' MET . 6.5 m170 -165.08 108.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.569 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.655 HG21 ' CG ' ' A' ' 94' ' ' HIS . 18.4 mm -119.33 137.13 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -144.97 176.31 9.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.566 HG12 ' CD1' ' A' ' 49' ' ' TRP . 16.3 mt -108.35 133.53 53.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -115.9 126.68 54.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -123.3 105.3 9.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp 65.58 -77.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' ASP . 1.0 OUTLIER -39.69 137.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.13 90.67 0.97 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.147 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -56.0 26.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 0.0 110.32 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -60.98 -31.16 70.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.568 HG21 ' CH2' ' A' ' 52' ' ' TRP . 25.1 t -73.38 -52.93 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -63.15 -42.0 94.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.4 m -57.14 -39.65 75.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.952 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.78 -36.15 78.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.47 -24.02 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -87.91 0.02 56.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.515 ' CG ' ' NH1' ' A' ' 77' ' ' ARG . 1.9 mt-10 68.47 85.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -93.28 -45.28 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.536 HD11 ' O ' ' A' ' 79' ' ' SER . 1.0 OUTLIER -56.39 -58.51 7.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -89.19 158.05 18.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.623 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.55 154.39 21.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.77 156.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -167.43 145.92 4.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.43 171.52 10.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.44 141.62 39.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -67.06 133.78 93.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.98 167.65 26.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -164.92 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.13 91.46 8.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.3 m 58.2 174.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.536 ' O ' HG22 ' A' ' 33' ' ' ILE . 8.7 mt 68.55 9.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 179.08 101.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.623 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.03 -148.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.8 tp -147.64 -117.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.9 46.42 0.26 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 mp -59.83 -44.22 94.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -80.38 2.27 25.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -77.09 -76.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.99 -47.44 24.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.74 65.38 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.62 -174.18 26.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.29 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.78 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -41.06 -50.09 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.4 mt -100.82 136.4 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.601 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 86.1 m -97.36 140.08 32.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.389 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.491 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -117.6 130.53 56.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.681 ' CZ3' ' CD2' ' A' ' 63' ' ' LEU . 10.3 m-90 -111.63 133.98 53.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 107.994 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.4 m -136.28 128.26 29.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.642 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -86.51 136.06 33.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.568 ' CH2' HG21 ' A' ' 13' ' ' VAL . 5.5 m95 -120.8 122.19 39.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 107.99 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -131.33 80.69 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.52 -130.02 6.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.0 -12.28 16.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -124.21 160.21 28.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.976 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.96 138.32 57.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.761 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -87.83 -34.15 18.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.595 ' N ' HD22 ' A' ' 57' ' ' LEU . . . -171.24 -179.62 42.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.147 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.544 ' O ' HG11 ' A' ' 91' ' ' VAL . 63.4 m -143.39 174.8 10.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 166.47 154.91 8.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -144.9 172.64 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.681 ' CD2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 pp -161.9 134.24 5.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.69 135.7 49.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -48.41 147.81 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.456 ' CD1' ' HG3' ' A' ' 72' ' ' GLU . 7.0 mt -138.6 -86.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -109.49 -172.83 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.3 p -73.45 -18.58 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -146.45 21.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 3.5 t60 -124.4 141.61 51.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.619 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.78 164.87 26.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 11.0 mt-10 -141.71 142.0 33.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 110.303 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -107.87 123.8 63.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.407 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -121.2 38.12 4.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.3 t -168.36 113.53 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.502 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -159.58 100.4 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.515 ' NH1' ' CG ' ' A' ' 19' ' ' GLU . 3.9 tpt180 -120.35 117.5 27.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 79' ' ' SER . 2.4 m -99.51 177.6 5.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.536 ' O ' HD11 ' A' ' 21' ' ' LEU . 5.9 t 61.55 86.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.01 -72.69 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 p -155.15 36.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 71.73 102.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.589 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 tt -141.22 153.63 45.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -118.8 96.95 5.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -179.85 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 145.86 84.39 0.06 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 58' ' ' ALA . 6.6 t -60.57 -60.93 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 0.731 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.502 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -69.05 -31.88 70.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.54 -43.95 88.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -56.93 -45.76 82.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.544 HG11 ' O ' ' A' ' 60' ' ' CYS . 52.2 t -75.07 -43.38 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.627 HD23 ' CE2' ' A' ' 127' ' ' PHE . 21.8 tp -58.29 -55.21 37.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -39.35 75.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.655 ' CG ' HG21 ' A' ' 3' ' ' ILE . 2.1 t60 -68.59 -46.55 69.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.547 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.2 mt -54.48 -48.58 69.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.664 ' CD1' ' CE1' ' A' ' 127' ' ' PHE . 96.3 mt -57.99 -44.12 86.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -40.69 96.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.443 ' HG2' ' CE1' ' A' ' 94' ' ' HIS . 15.5 mm-40 -55.69 -49.11 73.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.854 ' HB1' ' CG ' ' A' ' 104' ' ' TYR . . . -66.72 -35.74 80.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -39.14 86.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -40.9 69.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -39.68 29.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.63 53.16 0.68 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.854 ' CG ' ' HB1' ' A' ' 99' ' ' ALA . 4.9 m-85 -74.48 163.32 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.6 7.65 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.06 154.0 19.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.612 HD12 HD21 ' A' ' 151' ' ' LEU . 0.6 OUTLIER -156.42 122.42 4.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.768 ' O ' HD12 ' A' ' 73' ' ' ILE . 20.0 m -108.88 156.35 19.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.626 HD22 ' CD2' ' A' ' 124' ' ' TYR . 0.7 OUTLIER -136.91 172.39 13.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -104.56 106.92 17.6 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 145' ' ' VAL . 9.8 t -154.6 124.93 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -126.31 28.14 4.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.408 ' HB2' HG13 ' A' ' 145' ' ' VAL . 1.6 m 59.06 51.57 7.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.535 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -93.93 148.02 22.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.948 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.63 -35.37 60.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 20.1 m -70.36 -46.24 64.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -107.19 41.7 1.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.481 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 1.6 mt-10 -69.03 -56.06 9.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -75.01 -18.22 18.88 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.21 68.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.542 ' HA ' ' CD2' ' A' ' 124' ' ' TYR . 6.5 ptt-85 -66.12 -32.12 73.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 2.1 mtpt -65.36 -37.26 86.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.97 -30.65 71.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.626 ' CD2' HD22 ' A' ' 109' ' ' LEU . 12.8 m-30 -73.92 -50.04 21.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.425 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 12.5 mt-10 -51.31 -39.16 56.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -11.52 42.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.664 ' CE1' ' CD1' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -96.45 -17.31 20.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 120.49 -7.29 11.39 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.577 ' CE1' HD21 ' A' ' 109' ' ' LEU . 9.8 m-85 -53.8 131.21 39.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.93 151.4 41.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -61.2 139.73 58.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.45 -174.2 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.93 151.91 0.49 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' A' ' 146' ' ' PHE . 18.2 Cg_endo -74.97 120.36 6.04 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 33.6 m-85 -114.54 -172.17 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 135' ' ' PHE . . . 67.69 172.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -51.29 -31.85 22.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -66.36 154.03 41.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -151.35 -150.11 5.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -42.21 163.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.51 172.3 0.44 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.11 7.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -157.49 82.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.5 p -140.79 139.12 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.585 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 3.1 m -111.37 175.74 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 145' ' ' VAL . 90.4 m-85 -163.71 150.65 12.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.425 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.2 OUTLIER -154.74 160.56 41.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 t -133.08 157.21 45.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 129' ' ' PHE . 3.5 tmtm? -114.91 141.0 48.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 149' ' ' LYS . 5.4 ttpp -113.33 122.01 46.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.612 HD21 HD12 ' A' ' 107' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mtm . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.524 0.202 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -50.25 108.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.624 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.647 HG23 ' CD2' ' A' ' 94' ' ' HIS . 12.7 mm -118.81 124.83 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 3' ' ' ILE . 17.1 mttt -160.09 177.91 10.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.799 HG23 ' O ' ' A' ' 48' ' ' PHE . 3.3 mt -100.81 140.71 19.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.567 ' OD2' HG11 ' A' ' 13' ' ' VAL . 12.3 t70 -126.94 130.88 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -120.88 101.03 7.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp 40.31 81.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 m -161.67 98.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.432 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.46 117.14 3.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -49.4 -40.82 37.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 0.728 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.785 ' O ' HD13 ' A' ' 16' ' ' LEU . 8.1 mm100 -59.22 -34.29 72.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.567 HG11 ' OD2' ' A' ' 6' ' ' ASP . 96.9 t -72.0 -43.24 67.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.863 HG13 ' CE1' ' A' ' 34' ' ' HIS . 32.9 t -68.38 -49.77 63.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -33.3 32.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.785 HD13 ' O ' ' A' ' 12' ' ' GLN . 4.5 mp -65.49 -39.55 92.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.6 t -74.57 -39.25 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.425 HD22 HG12 ' A' ' 14' ' ' VAL . 8.9 m-80 -65.12 -15.25 62.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 47.79 95.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -91.44 -53.22 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.579 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mp -57.97 -58.61 7.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.44 113.86 25.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.7 t 67.0 131.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.047 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.09 95.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 t -117.2 9.01 13.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.423 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.76 158.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.0 166.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.37 145.03 1.51 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.71 26.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.98 33.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.466 1.772 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -95.87 43.5 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.1 p -118.63 54.61 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ALA . 43.7 mm 61.14 151.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.863 ' CE1' HG13 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -41.1 97.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -130.69 81.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.348 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -137.78 -68.14 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.77 60.04 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -40.3 -72.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 46.45 63.04 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -177.35 -69.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.93 54.09 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.18 83.3 2.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.67 156.26 24.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -13.23 21.43 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.454 1.765 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.04 50.46 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.487 HD11 ' HD3' ' A' ' 64' ' ' LYS . 19.9 mm -115.47 136.41 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.6 ' CG2' ' CH2' ' A' ' 49' ' ' TRP . 52.8 m -121.74 137.32 54.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -121.48 123.61 42.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.979 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.6 ' CH2' ' CG2' ' A' ' 47' ' ' THR . 10.4 m-90 -98.28 147.49 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 107.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 m -140.65 135.76 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.872 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -106.03 131.87 52.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -115.55 128.31 55.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 107.985 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.664 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 6.4 tt0 -135.54 76.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.84 -132.18 10.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.59 1.181 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -108.98 7.37 25.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.575 ' OE2' ' CE1' ' A' ' 82' ' ' HIS . 4.7 pt-20 -125.82 164.05 21.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.55 HD11 HG22 ' A' ' 13' ' ' VAL . 3.4 mm? -67.79 119.96 13.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.872 ' HB3' ' O ' ' A' ' 51' ' ' ALA . . . -73.57 -42.17 61.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.24 -174.06 46.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.8 p -150.85 161.71 42.16 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.463 ' HA3' ' CG1' ' A' ' 91' ' ' VAL . . . -163.07 176.4 39.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -158.89 147.96 18.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -155.94 115.12 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' HD3' HD11 ' A' ' 46' ' ' ILE . 8.3 ttpt -104.77 136.03 45.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -59.58 142.33 52.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.42 -58.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -118.88 177.65 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -53.73 -32.89 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.441 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -142.09 44.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.543 ' CE1' ' HG ' ' A' ' 108' ' ' SER . 12.4 t-80 -138.26 139.96 39.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.98 150.91 20.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -133.43 135.56 44.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 0.783 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.486 ' CG1' HG21 ' A' ' 95' ' ' ILE . 4.1 mp -93.15 146.93 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.73 43.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.2 t -164.79 120.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -155.66 64.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.44 ' NH1' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -122.16 134.94 54.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 1.105 HG23 HG11 ' A' ' 87' ' ' VAL . 96.5 m -87.45 149.29 24.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.1 t -53.54 -58.36 7.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -154.44 -167.87 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.11 63.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.575 ' CE1' ' OE2' ' A' ' 56' ' ' GLU . 25.0 m-70 -93.33 -173.78 3.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.596 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.501 HD23 ' H ' ' A' ' 83' ' ' LEU . 2.5 pt? -62.06 159.32 14.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 153.46 19.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.31 59.16 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.17 -49.2 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.152 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 1.105 HG11 HG23 ' A' ' 78' ' ' THR . 23.7 t -69.8 -61.05 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.469 ' HB3' ' CD1' ' A' ' 123' ' ' LEU . . . -70.61 -33.54 71.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -45.22 92.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.505 ' HB3' HD11 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -56.87 -50.51 72.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG1' ' HA3' ' A' ' 61' ' ' GLY . 67.7 t -66.37 -41.18 88.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.13 -50.91 71.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -32.77 69.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.647 ' CD2' HG23 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -70.02 -54.77 11.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.592 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.486 HG21 ' CG1' ' A' ' 73' ' ' ILE . 32.5 mt -53.34 -46.52 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.557 HD13 ' CE1' ' A' ' 127' ' ' PHE . 46.2 mt -57.97 -52.85 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -41.41 79.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.549 ' HG3' ' CZ2' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -55.46 -44.96 76.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.746 ' HB3' HD11 ' A' ' 107' ' ' LEU . . . -71.34 -30.86 66.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.76 ' HG2' HD22 ' A' ' 151' ' ' LEU . 1.1 mt-10 -71.49 -47.44 55.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -31.17 71.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.403 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -81.52 -42.69 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.17 57.01 1.52 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.459 ' HB2' ' CD1' ' A' ' 151' ' ' LEU . 7.0 m-30 -79.15 178.48 8.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -97.83 -38.31 9.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -163.03 156.03 19.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.746 HD11 ' HB3' ' A' ' 99' ' ' ALA . 1.2 mt -114.82 123.06 48.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.543 ' HG ' ' CE1' ' A' ' 70' ' ' HIS . 32.1 m -100.96 164.88 11.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.871 HD22 ' CZ ' ' A' ' 124' ' ' TYR . 2.4 pp -159.59 147.63 17.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -104.67 103.06 12.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 145' ' ' VAL . 6.8 t -112.33 -45.69 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 41.77 28.57 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.427 ' HA ' ' NH1' ' A' ' 121' ' ' ARG . 1.2 p 52.55 34.68 16.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 0.74 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.518 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -76.34 154.03 35.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.71 -30.31 71.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -77.07 -24.63 51.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.057 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -120.09 25.81 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.7 mt-10 -65.99 -50.7 50.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -75.03 -29.84 7.75 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' A' ' 124' ' ' TYR . . . -58.35 -47.41 83.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.504 ' HD2' ' CZ ' ' A' ' 131' ' ' TYR . 21.7 ttp-105 -63.0 -38.53 91.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -72.89 -32.75 65.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -77.39 -28.74 52.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.871 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 3.8 m-85 -73.81 -52.57 12.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.423 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.0 OUTLIER -57.03 -29.51 63.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.35 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.1 t -70.09 -14.87 62.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 96' ' ' ILE . 13.9 t80 -99.25 -17.27 18.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 133.99 -34.33 2.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.761 ' CE1' HD23 ' A' ' 109' ' ' LEU . 4.3 m-85 -36.95 141.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -131.2 163.78 26.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.504 ' CZ ' ' HD2' ' A' ' 121' ' ' ARG . 6.0 m-85 -70.32 143.75 51.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.2 m -147.76 -178.38 6.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.452 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 4.0 mt-10 -57.09 168.17 0.95 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.69 30.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.461 ' HB3' ' CE2' ' A' ' 146' ' ' PHE . 32.8 t80 -173.71 -44.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -41.34 -68.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.28 26.28 2.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 50.44 -174.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 40.42 -154.4 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.12 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.1 173.49 9.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -133.22 116.14 14.19 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.08 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -139.48 69.13 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.57 138.97 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.997 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 111' ' ' THR . 29.6 m -116.95 143.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 135' ' ' PHE . 35.9 t80 -98.42 166.91 11.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.454 ' HB3' HD21 ' A' ' 109' ' ' LEU . 1.9 ttt -147.75 135.2 20.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.3 t -139.05 157.14 46.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.608 ' CB ' ' CZ ' ' A' ' 129' ' ' PHE . 6.2 tmtm? -135.87 152.26 50.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -114.02 115.37 27.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.76 HD22 ' HG2' ' A' ' 100' ' ' GLU . 27.5 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.531 0.205 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.27 109.08 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.579 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.464 ' CG2' ' CD2' ' A' ' 94' ' ' HIS . 2.9 mt -104.1 131.72 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.64 176.15 10.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 48' ' ' PHE . 5.3 mp -74.47 139.35 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -110.79 127.22 55.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.88 114.97 19.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 68.4 -78.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 m -38.56 151.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.424 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.439 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 94.83 84.15 1.64 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -54.95 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -34.6 68.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.542 HG21 ' CH2' ' A' ' 52' ' ' TRP . 42.6 t -74.78 -42.23 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 10' ' ' GLY . 7.8 t -67.22 -52.35 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.47 -35.03 38.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.684 HD22 ' SG ' ' A' ' 60' ' ' CYS . 5.2 tt -64.84 -36.99 86.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.627 HG13 HD12 ' A' ' 26' ' ' LEU . 75.9 t -77.0 -39.92 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -59.14 -69.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.95 69.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -87.1 -54.02 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.585 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.861 HD21 ' HB2' ' A' ' 80' ' ' ALA . 88.8 mt -76.33 -55.54 5.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 179.97 -177.42 0.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.2 m 63.37 120.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.0 ttm -73.4 -59.89 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -91.95 107.97 19.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 110.452 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.627 HD12 HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -53.5 110.58 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.481 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER 80.16 150.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -155.03 97.22 2.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.59 8.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 167.26 27.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 75.13 73.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 p -72.21 59.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -93.3 1.15 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.403 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 51.4 t-80 -158.69 43.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . 66.38 130.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.6 tp -43.48 -59.48 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.44 58.93 0.22 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 mp -67.83 -50.12 58.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.45 -4.55 37.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.77 -74.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.0 mp -73.93 -33.46 63.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -90.14 57.79 3.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.12 153.29 20.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 53.44 3.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -178.52 51.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.467 HD11 ' HD2' ' A' ' 64' ' ' LYS . 16.1 mm -138.44 131.49 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.537 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 16.0 m -107.27 127.87 53.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -109.29 117.61 34.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.776 ' CH2' HD22 ' A' ' 63' ' ' LEU . 10.5 m-90 -89.89 141.42 28.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -129.28 156.35 44.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.57 121.28 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 57' ' ' LEU . 5.5 m95 -112.34 126.59 55.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.787 ' HB2' ' HB2' ' A' ' 58' ' ' ALA . 1.1 tt0 -124.15 77.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.55 -133.42 10.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.29 -15.18 23.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.36 148.37 43.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -54.85 150.08 10.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.787 ' HB2' ' HB2' ' A' ' 53' ' ' GLU . . . -99.9 -26.39 14.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.39 -170.28 43.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.684 ' SG ' HD22 ' A' ' 16' ' ' LEU . 6.3 p -146.96 162.08 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' TRP . . . -163.65 161.65 34.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.435 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . . . -132.76 159.47 39.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.776 HD22 ' CH2' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -160.31 123.36 3.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' HD2' HD11 ' A' ' 46' ' ' ILE . 9.1 tttp -117.54 133.31 56.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -64.39 139.3 58.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.37 -84.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' N ' ' OD2' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -93.36 179.79 5.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.6 p -61.94 -27.53 68.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.55 43.81 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -150.89 147.98 27.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.619 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -156.75 167.51 33.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' O ' ' CE ' ' A' ' 74' ' ' LYS . 15.0 tt0 -142.18 138.98 31.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.753 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.716 HD11 HD22 ' A' ' 107' ' ' LEU . 3.7 mp -90.63 145.01 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.495 ' CE ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -118.84 -91.71 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -51.96 126.2 17.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.483 ' CG ' ' O ' ' A' ' 76' ' ' MET . 0.7 OUTLIER 173.81 75.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -152.61 161.13 43.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -161.42 142.95 11.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.1 69.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.861 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -134.2 -72.35 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.71 -41.42 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.028 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 66.77 93.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.013 HD13 ' N ' ' A' ' 84' ' ' ARG . 3.1 tm? -76.78 154.17 34.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 1.013 ' N ' HD13 ' A' ' 83' ' ' LEU . 2.5 ptt180 -94.58 96.92 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -174.79 -63.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 156.95 66.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 58' ' ' ALA . 4.0 t -61.6 -61.03 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.24 -31.89 72.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -66.52 -41.07 89.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 0.3 OUTLIER -61.66 -54.59 40.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.5 t -57.72 -52.33 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.786 HD22 ' CD2' ' A' ' 127' ' ' PHE . 5.6 tt -50.24 -46.42 54.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -47.3 81.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.464 ' CD2' ' CG2' ' A' ' 3' ' ' ILE . 5.1 t60 -61.83 -41.68 98.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.575 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.6 mm -53.52 -50.12 51.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.22 -49.26 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -37.47 71.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.51 ' HG3' ' CE2' ' A' ' 49' ' ' TRP . 3.1 tm-20 -62.32 -50.86 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.591 ' HB3' HD11 ' A' ' 107' ' ' LEU . . . -66.65 -30.76 71.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.29 -37.11 80.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -74.11 -24.42 59.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -90.04 -28.42 19.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.18 57.87 4.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -83.27 174.0 11.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -89.72 -37.33 14.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -162.88 160.47 25.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 73' ' ' ILE . 6.7 mt -114.36 118.14 33.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 82.9 p -103.19 158.78 16.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.475 ' C ' HD12 ' A' ' 109' ' ' LEU . 4.3 pp -175.61 173.03 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.19 116.97 33.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 111' ' ' THR . 7.8 t -160.59 112.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.411 ' C ' HG22 ' A' ' 145' ' ' VAL . . . -98.91 -122.51 4.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.1 m -143.52 16.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.789 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -52.85 148.98 6.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.45 -34.17 56.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.87 -38.8 57.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -107.38 37.77 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.6 mt-10 -73.21 -52.52 5.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.97 -13.64 21.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.51 69.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 20.1 ptt-85 -71.56 -36.54 70.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 119' ' ' PRO . 0.5 OUTLIER -67.75 -35.3 78.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.334 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 119' ' ' PRO . 13.1 tp -61.62 -45.06 95.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.523 ' HB3' ' CG ' ' A' ' 129' ' ' PHE . 14.3 m-85 -62.23 -44.14 97.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.442 ' CD ' ' HE1' ' A' ' 147' ' ' MET . 1.7 mm-40 -59.84 -33.18 71.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.0 t -82.17 -23.99 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.786 ' CD2' HD22 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -91.85 -16.84 26.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 124' ' ' TYR . . . 106.65 96.4 2.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 1.4 m-85 -151.75 160.26 43.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -106.33 156.81 18.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.451 ' OH ' HG11 ' A' ' 145' ' ' VAL . 3.6 t80 -111.69 118.64 36.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 111.045 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 45.1 m -151.9 179.75 8.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.284 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 0.4 OUTLIER -54.62 166.82 0.67 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.553 ' HA ' ' CG ' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -75.02 138.43 22.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 136' ' ' ALA . 39.0 t80 -124.62 -44.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -39.08 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 138' ' ' TYR . 10.0 t0 -157.56 -55.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 137' ' ' ASP . 8.0 m-85 -37.22 156.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -145.93 -151.4 5.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 111.066 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.19 161.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.297 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.42 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.4 OUTLIER 169.41 174.06 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . 0.421 ' O ' ' ND2' ' A' ' 143' ' ' ASN . 18.2 Cg_endo -75.05 -27.93 9.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 142' ' ' PRO . 12.3 m-80 -159.94 75.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.4 t -136.76 131.44 33.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.451 HG11 ' OH ' ' A' ' 131' ' ' TYR . 32.7 m -132.4 -177.34 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.553 ' CG ' ' HA ' ' A' ' 134' ' ' PRO . 27.4 t80 -143.84 167.1 23.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.515 ' N ' ' CG ' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -152.33 141.84 21.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.015 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.539 ' C ' ' CD2' ' A' ' 129' ' ' PHE . 1.7 t -137.96 152.32 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -105.96 130.1 53.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.1 111.89 24.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mmt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.503 0.192 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -165.18 107.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.607 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.786 HG21 ' CG ' ' A' ' 94' ' ' HIS . 11.7 mm -120.04 137.5 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -149.37 175.56 11.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 48' ' ' PHE . 32.1 mt -109.34 140.63 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -119.0 121.99 41.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -124.73 101.89 7.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 7' ' ' ASP . 0.6 OUTLIER 37.46 88.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -176.47 -37.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.2 70.43 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 15' ' ' SER . 10.9 ptt180 -48.69 -33.6 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -68.98 -36.12 77.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.504 HG21 ' CH2' ' A' ' 52' ' ' TRP . 8.4 t -75.37 -51.38 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.604 HG12 HD22 ' A' ' 18' ' ' ASN . 40.7 t -64.4 -30.82 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -50.85 -33.45 23.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.982 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.95 -33.77 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.465 HG11 ' CE2' ' A' ' 48' ' ' PHE . 51.4 t -81.66 -31.22 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.604 HD22 HG12 ' A' ' 14' ' ' VAL . 7.7 m-80 -77.99 -0.67 28.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 75.6 69.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -92.35 -42.58 9.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.661 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -75.9 -61.0 2.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.403 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 169.48 172.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.612 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.8 p -176.92 174.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.9 ttm -44.65 130.94 6.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.2 t -77.36 123.06 26.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.08 144.78 39.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.5 -56.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.71 153.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 172.31 16.59 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 105.61 2.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.7 81.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.3 m 66.03 50.14 1.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.957 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -55.81 113.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.645 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 2.4 t60 61.65 160.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . 80.28 55.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.3 tp -86.71 -63.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.19 63.82 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -40.29 -85.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.747 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 50.2 44.7 26.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -144.84 -52.07 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.415 HD23 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -89.94 42.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -158.54 28.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.1 -170.55 12.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.84 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.67 -31.65 48.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 46' ' ' ILE . 10.9 mm -98.98 158.79 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.595 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 18.3 m -144.37 125.91 14.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.382 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 5' ' ' ILE . 3.6 m-85 -99.17 121.56 41.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.595 ' CZ3' ' HB ' ' A' ' 47' ' ' THR . 12.0 m-90 -100.3 129.94 46.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 108.015 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.7 p -115.83 163.86 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.571 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -139.93 134.81 32.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.54 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 35.7 m95 -116.79 123.05 46.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 107.973 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -131.18 76.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.53 -127.73 6.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.27 -4.8 15.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -127.2 158.01 38.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.896 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.19 126.68 28.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.479 ' O ' ' CG1' ' A' ' 87' ' ' VAL . . . -71.18 -40.33 71.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.537 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 169.1 -158.29 30.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 t -157.85 177.03 11.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -159.71 -175.06 30.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 75' ' ' SER . . . -158.82 124.9 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -138.8 119.33 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 7.4 ttpp -105.33 146.68 29.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.64 140.07 58.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -120.68 -68.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -126.36 -174.97 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -70.85 -29.85 66.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 ptt-85 -134.2 32.88 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -142.76 152.89 42.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.601 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -153.85 176.2 31.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.538 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -151.09 151.16 31.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 0.784 . . . . 0.0 110.345 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.73 HD11 HD21 ' A' ' 107' ' ' LEU . 4.1 mp -117.83 122.55 70.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.35 58.05 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.63 ' HB2' ' HB3' ' A' ' 62' ' ' ALA . 0.4 OUTLIER 176.39 131.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.82 92.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.417 ' O ' ' HB ' ' A' ' 78' ' ' THR . 15.8 mtm180 -144.24 139.01 28.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER 179.42 -40.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.385 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.78 100.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.543 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -123.83 12.66 9.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.62 18.83 7.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -115.14 -7.12 12.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.603 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.428 HD13 HG23 ' A' ' 87' ' ' VAL . 7.5 mt -138.8 147.23 42.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' LYS . 2.4 mmt180 -113.08 96.84 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER 40.37 88.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.64 -71.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 29.9 t -48.09 -60.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.14 -43.49 61.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -56.53 -44.08 80.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -59.0 -53.4 58.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.345 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.92 -54.09 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.688 HD21 ' CE1' ' A' ' 124' ' ' TYR . 0.2 OUTLIER -47.91 -46.22 31.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -39.48 82.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.786 ' CG ' HG21 ' A' ' 3' ' ' ILE . 25.9 t60 -72.21 -33.39 67.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.607 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.459 HG21 HG12 ' A' ' 73' ' ' ILE . 19.0 mm -57.35 -48.4 82.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.463 HD12 ' CE1' ' A' ' 127' ' ' PHE . 19.9 mt -70.41 -35.25 61.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -48.95 68.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.556 ' OE1' ' CE1' ' A' ' 94' ' ' HIS . 0.3 OUTLIER -55.27 -45.15 76.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.37 -31.11 66.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -49.23 48.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -23.41 60.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.82 -42.91 15.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.59 35.65 1.54 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.568 ' O ' HD22 ' A' ' 151' ' ' LEU . 3.4 m-85 -75.78 158.34 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.731 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.63 11.35 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -163.19 160.47 24.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.73 HD21 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -155.28 152.23 28.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 m -128.47 164.35 22.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.026 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.743 HD23 ' N ' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -166.5 161.5 16.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.26 110.93 23.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.443 ' CG2' ' HB2' ' A' ' 147' ' ' MET . 14.8 t -174.56 117.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . -135.15 37.05 1.98 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.57 1.169 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 1.5 m 92.65 -4.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.0 tpt -43.03 128.4 4.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.08 -50.33 64.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.0 m -52.29 -23.85 6.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -125.27 28.56 6.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.8 tt0 -58.59 -51.25 83.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.97 -23.91 13.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.544 1.813 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.35 -49.23 70.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 7.2 ttp-105 -62.59 -41.11 98.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.47 -29.02 66.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.447 HD13 ' C ' ' A' ' 123' ' ' LEU . 2.4 tm? -76.85 -35.94 57.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.705 ' CE2' HD12 ' A' ' 109' ' ' LEU . 3.4 m-85 -65.98 -52.09 52.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.473 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.2 OUTLIER -60.72 -28.56 68.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.9 t -68.25 -14.06 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.463 ' CE1' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -98.25 -17.06 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.954 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.28 -32.53 2.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 28.3 m-85 -37.99 140.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -131.76 157.48 43.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.463 ' CE1' HG21 ' A' ' 145' ' ' VAL . 3.5 m-85 -67.35 146.94 53.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.61 178.7 9.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.585 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 1.8 mt-10 -46.1 151.01 0.97 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.419 ' HA ' ' HB2' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.95 153.46 42.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.53 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 3.8 t80 -177.34 -87.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.53 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 39.83 -99.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 135' ' ' PHE . 1.5 t70 -122.43 -48.8 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -88.73 -172.75 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -115.78 -164.85 14.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.97 166.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.412 ' CB ' ' HB2' ' A' ' 144' ' ' SER . 1.4 m-20 -174.51 161.54 2.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -33.17 4.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.546 1.814 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -131.6 67.92 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.412 ' HB2' ' CB ' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -163.13 129.04 3.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.951 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.463 HG21 ' CE1' ' A' ' 131' ' ' TYR . 2.4 m -121.05 -174.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 133' ' ' GLU . 91.9 t80 -139.81 162.31 35.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 1.4 ttt -135.53 138.18 42.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.1 t -134.35 157.27 46.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 5.6 tmtm? -116.84 125.22 51.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.16 105.9 15.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.568 HD22 ' O ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.511 0.196 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -164.75 109.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.707 HG21 ' CG ' ' A' ' 94' ' ' HIS . 25.5 mm -118.99 136.95 54.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -145.73 174.8 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.7 mt -111.19 135.68 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -126.29 127.75 46.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -124.21 117.0 23.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 71.48 -77.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -39.58 150.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.374 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.09 104.14 2.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -56.67 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.7 -32.68 72.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.598 HG21 ' CH2' ' A' ' 52' ' ' TRP . 71.8 t -70.89 -44.94 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.4 t -71.14 -47.08 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -51.58 -35.49 41.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.66 HD11 ' O ' ' A' ' 78' ' ' THR . 0.2 OUTLIER -66.53 -42.92 86.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.412 HG11 ' CZ ' ' A' ' 48' ' ' PHE . 71.9 t -66.75 -40.83 86.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -60.6 -71.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.13 101.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.35 -56.39 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.41 -55.41 35.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.1 t60 63.33 59.48 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.618 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.9 p -47.72 145.94 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.9 mmt -57.49 156.02 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 m -40.2 -58.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 110.383 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 65.75 152.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.0 ttm -49.32 118.12 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 43.2 t -179.2 141.92 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.02 115.63 4.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.807 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 104.99 1.99 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.506 1.792 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.63 75.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.6 p 177.21 169.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 33' ' ' ILE . 5.5 tt -146.52 64.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.8 m80 64.62 102.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.581 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -173.65 129.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 36' ' ' LEU . 6.8 tp -127.02 -143.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 40' ' ' LYS . . . -144.6 47.82 0.75 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.0 mm? -40.41 -34.24 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -106.19 51.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' GLY . 4.6 mttm -140.06 -69.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.67 57.88 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -176.75 80.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.25 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.92 -171.48 35.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -46.87 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.538 1.81 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -55.44 -30.77 61.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.421 HD13 ' HB2' ' A' ' 64' ' ' LYS . 13.4 mm -99.16 128.27 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.524 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 90.4 m -111.85 135.27 52.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.412 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 1.8 m-85 -113.8 119.33 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.588 ' CH2' HD22 ' A' ' 63' ' ' LEU . 12.6 m-90 -97.06 133.75 41.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 108.054 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.3 m -122.04 124.62 44.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.598 ' HA ' HD13 ' A' ' 3' ' ' ILE . . . -99.92 126.49 46.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.598 ' CH2' HG21 ' A' ' 13' ' ' VAL . 6.8 m95 -116.17 119.66 36.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 108.017 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -126.39 76.96 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.02 -132.61 6.9 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.41 -12.04 16.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -120.37 164.61 16.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.917 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -65.45 132.38 48.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.65 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -82.67 -36.57 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.515 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 165.68 176.87 37.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -124.07 -170.38 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.59 144.87 7.13 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -112.92 118.87 36.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.588 HD22 ' CH2' ' A' ' 49' ' ' TRP . 6.5 tt -129.87 117.22 19.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HB2' HD13 ' A' ' 46' ' ' ILE . 10.1 ttpt -125.86 129.17 48.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 129.73 43.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.12 -64.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.28 -173.97 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 68' ' ' THR . 25.7 p -65.84 -38.43 88.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.37 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -130.51 36.87 3.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -145.69 142.87 29.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.586 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.92 179.92 20.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.133 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -162.13 151.28 15.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 62' ' ' ALA . 3.6 mp -122.69 141.28 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.367 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.78 56.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 62' ' ' ALA . 0.2 OUTLIER 176.74 109.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.7 tpt -156.72 87.61 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.5 mmt-85 -138.95 160.15 40.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.66 ' O ' HD11 ' A' ' 16' ' ' LEU . 12.1 p -100.17 -79.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.391 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.7 t 179.3 -37.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.67 -61.51 0.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 80.1 p -172.75 38.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -174.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.6 155.68 21.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.85 150.59 23.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.756 ' HG3' HD12 ' A' ' 123' ' ' LEU . 0.0 OUTLIER 63.64 66.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.473 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . -174.38 -74.53 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.15 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 58' ' ' ALA . 2.9 t -52.89 -60.99 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.63 -46.29 63.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -33.75 33.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 3.6 mm100 -66.44 -44.23 83.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 34.9 t -71.71 -49.09 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.687 HD22 HD11 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -48.57 -52.68 21.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -44.4 77.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.707 ' CG ' HG21 ' A' ' 3' ' ' ILE . 40.3 t60 -65.1 -40.91 95.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 mp -59.35 -46.17 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.687 HD11 HD22 ' A' ' 92' ' ' LEU . 13.1 mt -68.08 -38.16 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -41.33 98.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.425 ' OE1' ' CD2' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -56.67 -46.16 81.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.521 ' CB ' HD11 ' A' ' 107' ' ' LEU . . . -70.71 -30.99 67.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.87 -48.62 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -52.51 42.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -42.93 81.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.06 74.53 1.24 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -90.72 -175.08 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -114.23 -31.72 6.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 149' ' ' LYS . 2.8 mpp_? -162.98 153.62 16.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 1.024 HD12 HD11 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -121.06 133.77 55.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.6 t -100.93 168.98 9.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.702 HD22 ' CE2' ' A' ' 129' ' ' PHE . 0.4 OUTLIER -164.68 154.51 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -104.72 103.14 12.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.5 p -99.13 -101.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . 111.68 -32.65 6.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.706 ' HB2' HG22 ' A' ' 145' ' ' VAL . 0.6 OUTLIER 89.99 34.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 109.976 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.51 ' CE ' ' HA ' ' A' ' 114' ' ' MET . 2.1 tpt -56.84 164.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.35 -45.84 68.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -16.96 59.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.557 ' O ' ' CD1' ' A' ' 117' ' ' PHE . 63.5 t80 -115.27 33.15 5.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.493 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.1 mt-10 -75.09 -51.85 3.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -75.0 -27.66 9.83 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.485 ' HB3' ' CD2' ' A' ' 117' ' ' PHE . . . -55.46 -49.55 72.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.653 ' HE ' HG21 ' A' ' 145' ' ' VAL . 9.0 tmm_? -63.78 -39.28 93.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.39 -25.07 67.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.756 HD12 ' HG3' ' A' ' 85' ' ' LYS . 0.3 OUTLIER -76.28 -34.76 59.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.557 ' CD2' HD11 ' A' ' 92' ' ' LEU . 9.5 m-85 -67.59 -52.28 40.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.485 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.2 pp20? -59.59 -27.62 66.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.3 t -79.83 -10.82 59.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.667 ' CD1' HD13 ' A' ' 92' ' ' LEU . 1.9 t80 -92.02 -17.12 25.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 134.93 -21.38 3.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.702 ' CE2' HD22 ' A' ' 109' ' ' LEU . 20.8 m-85 -55.34 140.03 40.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -127.3 149.45 50.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -58.95 137.88 57.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 2.2 m -161.69 174.53 13.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.297 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.8 132.77 2.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.568 ' HB3' ' CD1' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -75.01 155.87 42.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.41 ' O ' ' CD2' ' A' ' 138' ' ' TYR . 82.1 m-85 -129.01 -45.93 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -46.21 -63.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.47 -20.33 16.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.41 ' CD2' ' O ' ' A' ' 135' ' ' PHE . 0.7 OUTLIER 57.4 158.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 60.73 152.03 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.71 174.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 144' ' ' SER . 5.6 m-20 -159.17 152.96 19.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -14.4 21.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -169.35 88.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.44 ' HB2' ' CB ' ' A' ' 141' ' ' ASP . 0.6 OUTLIER -173.2 137.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.706 HG22 ' HB2' ' A' ' 113' ' ' SER . 30.2 m -104.93 165.87 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 134' ' ' PRO . 0.8 OUTLIER -166.78 145.11 5.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.485 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -157.08 157.53 34.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.0 t -125.79 157.03 38.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 36.7 tptt -96.46 144.69 26.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -108.26 106.38 16.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 1.024 HD11 HD12 ' A' ' 107' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.222 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 mtt . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.499 0.19 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -148.37 145.2 27.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.605 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.692 HG22 ' CE1' ' A' ' 94' ' ' HIS . 3.9 mt -90.33 128.72 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.48 176.92 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.531 HG13 ' CD1' ' A' ' 49' ' ' TRP . 2.1 mp -81.71 120.86 34.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -124.53 152.85 42.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 8' ' ' LEU . 5.2 t0 -124.04 100.93 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' ASP . 3.8 mp 40.25 88.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -145.86 98.75 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.83 117.02 4.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -47.81 68.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -57.89 -33.04 68.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.827 HG22 HD11 ' A' ' 57' ' ' LEU . 19.9 t -72.13 -41.49 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -72.06 -47.71 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -33.44 28.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.967 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.519 HD13 ' HA2' ' A' ' 59' ' ' GLY . 4.0 tt -68.03 -39.77 83.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 t -70.75 -25.59 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -80.92 -18.25 47.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 41.64 86.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -83.78 -32.26 25.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.614 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.687 HD23 ' N ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -64.2 -57.59 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.687 ' N ' HD23 ' A' ' 21' ' ' LEU . 58.5 t-80 -45.51 -76.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.633 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.41 154.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.0 mpp? 59.25 111.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.668 HG22 ' HG3' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -70.43 -9.93 57.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.81 166.28 25.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -42.28 -51.17 4.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.91 167.82 15.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.52 5.68 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.502 1.791 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.668 ' HG3' HG22 ' A' ' 25' ' ' THR . 18.4 Cg_endo -74.95 151.17 39.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -125.36 -61.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 p -176.49 57.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 tt -141.68 48.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.405 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 65.6 t60 -161.95 -57.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.624 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . 66.99 130.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 36' ' ' LEU . 6.7 tp -110.01 -141.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 39' ' ' GLU . . . -147.5 54.62 0.52 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.558 1.161 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 mp -44.86 -26.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 37' ' ' GLY . 3.3 mt-10 -90.45 40.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -132.66 -63.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HA ' HG21 ' A' ' 46' ' ' ILE . 4.1 mp -80.1 54.73 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -168.08 57.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.84 -175.73 35.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -45.0 -27.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 64' ' ' LYS . 9.0 mm -100.54 123.49 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.428 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 75.6 m -102.86 135.35 44.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -111.09 117.8 34.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.559 ' CZ3' ' HG ' ' A' ' 63' ' ' LEU . 16.8 m-90 -93.38 122.64 36.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.604 ' O ' HG23 ' A' ' 3' ' ' ILE . 4.0 m -93.52 168.63 10.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.712 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -156.83 135.02 11.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -126.99 116.04 20.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 107.981 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.526 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -111.72 80.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.07 -131.5 10.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.49 17.09 24.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -126.86 130.28 49.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.827 HD11 HG22 ' A' ' 13' ' ' VAL . 3.4 mm? -50.86 110.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.72 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -57.75 -45.03 86.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.519 ' HA2' HD13 ' A' ' 16' ' ' LEU . . . 149.92 -127.43 2.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -167.21 175.77 7.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' TRP . . . -151.46 154.26 25.45 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.662 ' HB3' ' CB ' ' A' ' 75' ' ' SER . . . -151.42 133.57 15.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.74 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.559 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -151.1 120.88 7.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -104.8 129.43 53.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.21 142.0 17.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 66' ' ' LEU . 3.7 mt -117.69 -59.25 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -127.64 -168.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.3 p -65.25 -38.13 89.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 mtm105 -134.75 48.59 2.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.465 ' CE1' ' OG ' ' A' ' 108' ' ' SER . 19.9 t-80 -147.15 138.1 23.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.578 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.62 150.5 20.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.2 131.22 48.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.683 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.2 mp -98.21 146.78 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.83 32.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.662 ' CB ' ' HB3' ' A' ' 62' ' ' ALA . 4.1 t -170.76 121.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.675 ' HE3' HD23 ' A' ' 92' ' ' LEU . 1.2 ppp? -178.7 34.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 161.06 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.437 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 70.9 m -80.95 -106.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.25 -74.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.503 ' HB1' HD13 ' A' ' 21' ' ' LEU . . . -174.18 70.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.59 25.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -70.75 -173.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.569 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.701 ' C ' HD22 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -60.97 159.64 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.01 148.32 37.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -169.87 -45.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.56 42.22 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 58' ' ' ALA . 1.4 t -62.99 -61.28 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.522 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -67.2 -33.56 75.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.467 ' HD3' ' CE1' ' A' ' 127' ' ' PHE . 0.7 OUTLIER -63.18 -40.18 96.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -56.87 -44.07 81.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.1 t -73.03 -50.23 33.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.721 ' CD1' HD11 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -52.41 -50.75 61.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -43.53 73.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.692 ' CE1' HG22 ' A' ' 3' ' ' ILE . 3.2 t-160 -61.04 -42.65 98.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.61 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.533 HG23 HD22 ' A' ' 63' ' ' LEU . 61.8 mt -64.39 -49.61 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.721 HD11 ' CD1' ' A' ' 92' ' ' LEU . 65.6 mt -58.37 -44.59 88.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -45.13 79.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.495 ' OE1' ' CD ' ' A' ' 102' ' ' ARG . 1.2 tm-20 -56.79 -50.86 71.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.801 ' CB ' HD21 ' A' ' 107' ' ' LEU . . . -65.64 -34.27 77.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.625 ' HG2' HD23 ' A' ' 151' ' ' LEU . 0.7 OUTLIER -66.44 -37.39 85.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -79.93 -32.88 40.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.582 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -70.89 -43.43 68.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.25 55.48 1.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 102' ' ' ARG . 16.2 m-30 -89.32 177.96 6.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -47.67 7.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.825 ' HA ' HD12 ' A' ' 151' ' ' LEU . 0.1 OUTLIER -163.25 159.55 22.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.873 HD11 HD21 ' A' ' 151' ' ' LEU . 1.0 OUTLIER -109.28 117.21 33.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.465 ' OG ' ' CE1' ' A' ' 70' ' ' HIS . 81.5 p -101.65 168.03 9.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.703 ' C ' HD12 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -174.33 162.84 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.618 ' N ' HD12 ' A' ' 109' ' ' LEU . 13.4 pt-20 -83.83 123.78 30.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.406 ' HB ' HD11 ' A' ' 109' ' ' LEU . 8.9 t -148.54 -176.86 5.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.59 -159.9 23.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.8 m -111.92 -4.12 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 118' ' ' GLU . 4.7 tpt -51.01 146.98 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.68 -33.85 61.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.3 m -70.22 -35.68 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -109.66 27.41 9.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.0 OUTLIER -74.84 -53.58 3.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.98 -17.4 19.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.21 -51.47 66.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.536 ' HA ' ' CD2' ' A' ' 124' ' ' TYR . 17.7 ptt180 -67.18 -35.39 79.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 119' ' ' PRO . 2.5 mtpp -61.62 -46.75 88.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.485 ' O ' HD22 ' A' ' 123' ' ' LEU . 1.8 tm? -53.23 -43.22 67.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.584 ' CZ ' HD21 ' A' ' 109' ' ' LEU . 13.1 m-30 -62.75 -50.16 72.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.407 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 45.5 mt-10 -54.8 -33.27 61.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.2 t -65.34 -14.24 60.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.467 ' CE1' ' HD3' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -98.24 -16.13 19.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 108.57 -1.86 32.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 0.3 OUTLIER -41.01 159.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 111.047 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -121.4 159.28 26.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.447 ' CE2' ' HE1' ' A' ' 147' ' ' MET . 13.6 m-85 -94.7 150.41 20.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.74 -176.26 5.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 108.272 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 10.6 mt-10 -57.78 151.41 42.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.245 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.13 23.88 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.652 ' O ' ' HB3' ' A' ' 136' ' ' ALA . 0.1 OUTLIER -155.58 -164.12 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 135' ' ' PHE . . . 80.87 -168.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.92 -39.24 25.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -95.76 136.48 36.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -116.42 -162.77 13.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -42.35 158.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 0.727 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.429 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.7 OUTLIER 173.63 173.99 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.1 Cg_endo -75.05 1.56 7.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -166.71 80.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 53.9 p -153.4 136.73 15.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 5.4 m -148.0 151.82 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.601 ' CE1' ' CE2' ' A' ' 135' ' ' PHE . 15.8 t80 -122.38 146.18 47.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.447 ' HE1' ' CE2' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -120.68 142.22 49.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.466 ' C ' ' CD2' ' A' ' 129' ' ' PHE . 9.1 t -137.27 142.61 41.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 16.5 tptt -100.78 131.36 46.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 149' ' ' LYS . 3.9 ttpt -94.14 112.99 24.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.873 HD21 HD11 ' A' ' 107' ' ' LEU . 1.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HG3' ' CB ' ' A' ' 53' ' ' GLU . 28.2 mmt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.502 0.192 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -164.69 108.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.597 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.619 ' CG2' ' CD2' ' A' ' 94' ' ' HIS . 3.9 mm -119.92 122.53 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.12 173.33 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.571 HG13 ' CD1' ' A' ' 49' ' ' TRP . 2.6 mp -87.69 138.63 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.586 ' OD2' HG21 ' A' ' 13' ' ' VAL . 8.6 t70 -107.62 118.86 37.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -125.3 100.86 6.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' HG22 ' A' ' 9' ' ' THR . 0.1 OUTLIER 53.24 176.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 9' ' ' THR . 0.5 OUTLIER 71.94 12.1 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.73 76.56 0.4 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.8 -49.63 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -60.7 -29.62 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.586 HG21 ' OD2' ' A' ' 6' ' ' ASP . 37.0 t -74.11 -42.03 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.16 -48.57 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -34.61 30.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 16' ' ' LEU . 4.4 tt -72.73 -45.04 60.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 13' ' ' VAL . 68.9 t -64.9 -24.14 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -77.68 -61.35 2.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.23 97.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.04 -58.87 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.799 HD21 ' O ' ' A' ' 80' ' ' ALA . 21.3 mt -76.98 -54.03 7.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.406 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER 168.63 177.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.604 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m 69.31 162.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.025 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.07 83.18 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -147.95 125.21 11.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.02 -178.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 ptm -74.2 175.59 7.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.5 p -103.34 153.23 38.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 110.2 3.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.565 ' HB3' HG22 ' A' ' 33' ' ' ILE . 0.3 OUTLIER 176.55 139.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 m -71.11 60.9 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.565 HG22 ' HB3' ' A' ' 31' ' ' GLU . 4.1 tt -154.37 56.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.79 60.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.54 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.83 89.58 3.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 36' ' ' LEU . 6.7 tp -118.91 -142.17 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 40' ' ' LYS . . . -141.66 43.45 1.08 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' GLY . 6.9 mp -40.17 -31.57 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 37' ' ' GLY . 25.1 mt-10 -96.55 48.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 37' ' ' GLY . 9.2 mttt -131.09 -57.77 1.02 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.606 HD23 ' HZ ' ' A' ' 48' ' ' PHE . 6.7 mp -66.84 -49.62 65.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -78.47 61.08 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.64 167.02 12.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.16 8.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 5.9 tt0 -107.56 54.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.488 HG21 ' O ' ' A' ' 41' ' ' LEU . 19.4 mm -126.09 136.11 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.591 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 17.9 m -121.78 125.76 47.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.627 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 2.9 m-85 -106.08 117.26 33.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CH2' HD22 ' A' ' 63' ' ' LEU . 20.2 m-90 -90.06 132.27 35.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.053 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.6 m -123.0 163.38 20.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.039 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -130.96 130.86 43.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.461 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 2.3 m95 -119.6 116.74 26.64 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.53 ' CG ' ' HB2' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -142.88 76.2 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.344 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.1 -128.02 2.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.0 -9.32 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -141.17 177.25 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.944 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.49 134.64 57.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 51' ' ' ALA . . . -82.39 -36.57 26.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.564 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 177.08 -175.86 47.84 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.516 ' SG ' HG13 ' A' ' 13' ' ' VAL . 3.5 m -141.47 -174.26 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.601 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . -178.26 164.22 32.79 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.627 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . . . -131.86 127.34 36.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 0.734 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.692 HD22 ' CH2' ' A' ' 49' ' ' TRP . 3.0 tt -137.99 119.74 15.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -120.1 137.24 54.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.24 148.57 44.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.72 -81.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.83 -170.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.3 t -60.11 -44.07 95.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -135.8 40.88 2.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -139.26 131.11 27.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.612 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.92 170.26 23.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -149.33 154.31 38.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.9 mt -115.96 138.73 45.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.48 46.86 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.72 102.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.565 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -139.83 83.51 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -123.44 135.8 54.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.506 HG23 ' HB ' ' A' ' 87' ' ' VAL . 4.4 m -68.37 -83.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.25 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.799 ' O ' HD21 ' A' ' 21' ' ' LEU . . . -117.42 -69.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER 163.49 -29.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 82' ' ' HIS . 8.3 p-80 -135.58 111.52 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 109.597 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.872 HD22 HG23 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -138.91 159.71 41.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.639 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -90.76 155.25 18.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 84' ' ' ARG . 0.2 OUTLIER 81.75 -67.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 131.44 110.0 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.434 1.084 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.872 HG23 HD22 ' A' ' 83' ' ' LEU . 68.8 t -73.87 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.565 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -52.21 -42.65 63.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.872 ' HG3' HD11 ' A' ' 123' ' ' LEU . 5.4 mtpt -55.23 -44.25 75.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 5.3 mm100 -62.05 -54.03 47.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.0 t -57.63 -53.83 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.64 HD12 HD11 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -47.82 -49.89 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -42.5 91.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.619 ' CD2' ' CG2' ' A' ' 3' ' ' ILE . 5.2 t-160 -56.91 -49.75 74.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.627 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 mp -56.74 -50.26 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.64 HD11 HD12 ' A' ' 92' ' ' LEU . 63.8 mt -59.78 -51.98 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -41.87 71.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.429 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 5.3 tp10 -62.63 -51.03 68.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.09 -31.13 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.78 -45.93 90.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -51.83 67.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -34.82 75.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.98 57.1 3.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.601 ' HB2' HD13 ' A' ' 151' ' ' LEU . 14.9 m-85 -70.76 -173.72 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -108.08 -35.97 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -162.94 161.08 25.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.601 HD12 HD11 ' A' ' 151' ' ' LEU . 3.3 mt -123.44 118.22 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 m -106.98 168.86 8.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.593 HD11 ' CE2' ' A' ' 124' ' ' TYR . 0.3 OUTLIER -173.51 -175.7 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.439 ' HA ' ' CB ' ' A' ' 136' ' ' ALA . 12.6 pt-20 -95.72 128.08 42.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 145' ' ' VAL . 3.0 m -146.42 143.83 29.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.837 ' O ' HG22 ' A' ' 145' ' ' VAL . . . -143.91 -107.47 0.58 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.7 p 179.33 50.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 110.055 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.459 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -95.0 142.57 27.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.8 -31.61 39.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.2 p -64.57 -44.57 90.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -119.39 45.78 2.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.5 tt0 -71.23 -52.9 8.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.99 -12.63 21.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.09 -51.85 60.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 30.1 ptt85 -67.33 -32.31 73.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER -66.49 -37.82 85.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.872 HD11 ' HG3' ' A' ' 89' ' ' LYS . 1.0 OUTLIER -64.0 -34.84 78.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.593 ' CE2' HD11 ' A' ' 109' ' ' LEU . 14.4 m-30 -69.35 -50.2 48.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.47 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 29.1 mt-10 -49.74 -43.3 47.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.3 t -61.38 -16.83 50.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.63 ' CE1' ' CD1' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -90.91 -17.14 26.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 121.74 -16.4 8.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.565 1.165 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 5.7 m-85 -44.64 139.82 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -114.94 162.72 16.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.429 ' CD2' ' SD ' ' A' ' 147' ' ' MET . 22.4 m-85 -89.82 135.75 33.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 71.6 m -148.73 160.3 43.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.278 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -41.88 163.38 0.12 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.43 14.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.453 1.765 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 136' ' ' ALA . 76.8 t80 -132.15 -43.09 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -36.85 -62.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -172.5 -65.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -47.68 121.23 3.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -84.78 -163.72 37.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -49.49 157.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 167.69 167.23 0.13 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 0.45 8.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -156.59 78.98 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.47 ' C ' HG13 ' A' ' 145' ' ' VAL . 3.7 t -164.69 129.19 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 112' ' ' GLY . 15.9 m -154.43 144.75 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.527 ' CE2' ' HB ' ' A' ' 148' ' ' THR . 17.3 t80 -117.32 156.85 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.47 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -131.56 143.81 50.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.527 ' HB ' ' CE2' ' A' ' 146' ' ' PHE . 2.7 t -139.08 128.05 23.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.431 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 2.6 tmtt? -90.49 145.37 24.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.51 109.07 18.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.601 HD11 HD12 ' A' ' 107' ' ' LEU . 1.2 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.544 0.212 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.92 109.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.603 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.581 HG22 ' CE1' ' A' ' 94' ' ' HIS . 3.2 mt -118.97 132.98 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -135.98 175.21 9.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.63 111.28 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.37 149.93 50.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -119.63 100.38 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' HA ' ' CG1' ' A' ' 13' ' ' VAL . 0.6 OUTLIER 37.72 86.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.438 ' HB ' ' CG2' ' A' ' 13' ' ' VAL . 23.5 m -62.7 -81.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.543 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -132.84 -125.68 2.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.07 -29.86 23.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -63.42 -49.52 73.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 8' ' ' LEU . 79.4 t -73.27 -38.76 54.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 10' ' ' GLY . 3.3 t -61.66 -45.69 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.86 -46.99 74.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -44.77 77.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.69 -46.84 95.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -63.73 -70.12 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 176.68 137.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -92.82 -48.25 6.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.637 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.893 ' HG ' ' HB2' ' A' ' 80' ' ' ALA . 1.1 mt -70.97 -61.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -176.9 125.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.631 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -52.27 -68.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.97 165.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.2 t -141.47 137.99 32.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' MET . 0.6 OUTLIER -98.49 158.12 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 26' ' ' LEU . 4.0 ptp 42.55 -166.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.77 127.01 92.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.4 Cg_endo -74.98 146.77 33.15 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 29' ' ' PRO . 18.4 Cg_endo -74.96 -173.82 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.548 1.815 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -121.65 93.26 3.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.6 p -160.55 171.97 18.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.618 HG23 ' O ' ' A' ' 33' ' ' ILE . 10.3 tt -71.99 65.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 77.24 -77.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.624 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 49.52 96.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.724 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.7 tm? -50.64 -53.84 27.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.19 54.0 0.46 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 mp -45.83 -89.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.306 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 51.66 28.23 4.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -123.85 -80.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.571 ' HG ' ' CZ ' ' A' ' 48' ' ' PHE . 2.6 mm? -68.68 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 38.96 81.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.69 146.12 13.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -9.42 20.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -136.89 51.84 1.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.567 HD12 HD12 ' A' ' 41' ' ' LEU . 13.6 mm -106.8 125.73 62.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.543 ' CG2' ' CH2' ' A' ' 49' ' ' TRP . 52.6 m -99.43 143.01 30.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 110.43 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.832 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 3.0 m-85 -127.2 123.15 35.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.543 ' CH2' ' CG2' ' A' ' 47' ' ' THR . 10.4 m-90 -97.5 119.67 36.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 108.014 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.507 ' HB3' ' CZ2' ' A' ' 52' ' ' TRP . 33.0 m -101.31 129.03 47.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.16 123.48 43.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.507 ' CZ2' ' HB3' ' A' ' 50' ' ' SER . 1.1 m95 -125.34 114.91 19.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 107.989 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -114.92 78.53 1.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.71 -128.74 6.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.058 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.31 -13.21 16.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -119.35 160.58 22.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.964 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -67.35 139.61 57.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.536 ' HB1' HG22 ' A' ' 87' ' ' VAL . . . -94.92 -33.77 12.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.512 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 176.25 -154.41 16.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.5 p -160.06 169.1 24.09 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TRP . . . -169.71 117.04 0.69 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.14 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.832 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . . . -114.53 153.82 29.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.525 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 3.2 pp -139.99 124.73 18.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' HG3' HD11 ' A' ' 46' ' ' ILE . 1.4 ttpt -92.91 125.6 37.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.4 156.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.495 HD13 ' ND1' ' A' ' 70' ' ' HIS . 5.5 mt -139.91 -75.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.35 -175.16 3.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -57.99 -42.3 84.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.22 38.57 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.495 ' ND1' HD13 ' A' ' 66' ' ' LEU . 4.1 t-80 -136.85 132.49 34.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.592 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.39 154.86 22.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 111.047 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.418 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 3.9 tt0 -133.88 134.03 42.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 110.287 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.4 mp -101.41 137.29 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.18 59.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.47 120.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.43 93.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.36 100.08 6.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 79' ' ' SER . 82.5 m -48.06 167.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.539 ' HB2' HG21 ' A' ' 87' ' ' VAL . 4.2 t -103.22 130.27 50.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.893 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . . . -82.92 -165.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER 87.9 -20.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 70.36 81.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.635 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 83' ' ' LEU . 3.9 pp -124.89 146.57 49.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -100.52 97.02 7.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -149.07 -59.91 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 118.66 61.65 0.28 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.539 HG21 ' HB2' ' A' ' 79' ' ' SER . 21.6 t -62.07 -60.47 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.56 96.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.83 ' HG3' HD11 ' A' ' 123' ' ' LEU . 13.2 mttt -56.31 -44.57 80.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 4.9 mm100 -57.96 -50.99 71.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.74 -51.95 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.523 HD21 ' CZ ' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -48.19 -52.46 20.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -49.07 75.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.581 ' CE1' HG22 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -60.55 -45.53 93.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.641 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 96' ' ' ILE . 1.0 OUTLIER -53.49 -51.46 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.737 HD12 ' CE2' ' A' ' 127' ' ' PHE . 79.0 mt -63.22 -45.39 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -42.4 74.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.498 ' CD ' ' CZ2' ' A' ' 49' ' ' TRP . 4.3 mm-40 -56.84 -49.23 76.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.255 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.411 ' HA ' ' CE2' ' A' ' 104' ' ' TYR . . . -66.82 -33.78 76.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -48.39 79.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -52.4 -52.62 52.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.568 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -65.82 -41.36 91.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.65 56.62 2.33 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 102' ' ' ARG . 22.3 m-85 -76.9 -168.91 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -115.73 -34.62 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -163.08 160.94 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.75 HD23 HD21 ' A' ' 151' ' ' LEU . 0.4 OUTLIER -144.28 131.36 20.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -103.3 165.47 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.966 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.479 HD21 ' CE2' ' A' ' 129' ' ' PHE . 2.2 pp -169.63 163.7 10.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -104.92 104.09 13.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 112' ' ' GLY . 3.3 t -121.35 -54.64 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.494 ' N ' HG23 ' A' ' 111' ' ' THR . . . 63.01 -150.93 48.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 83.2 p -139.6 51.59 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -75.79 150.35 37.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.07 -34.1 55.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.5 t -77.05 -41.78 41.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -108.01 43.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.2 mt-10 -73.21 -53.31 4.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -75.0 -21.81 15.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.457 1.767 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.95 -51.08 71.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 29.9 ptt85 -65.08 -32.22 73.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -72.57 -42.67 64.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.83 HD11 ' HG3' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -56.41 -32.06 64.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.523 ' CZ ' HD21 ' A' ' 92' ' ' LEU . 3.7 m-85 -71.63 -50.17 33.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.477 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 34.8 mt-10 -50.15 -41.8 49.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.341 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.7 t -61.79 -13.62 25.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.737 ' CE2' HD12 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -96.65 -17.35 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 131.49 -27.41 3.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 4.4 m-85 -42.5 139.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -126.6 166.45 17.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.14 133.39 34.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.3 m -136.87 179.06 6.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 108.288 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.467 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -50.58 143.45 14.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.463 ' CG ' ' HG2' ' A' ' 140' ' ' GLU . 18.2 Cg_endo -75.0 124.72 8.84 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.543 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 16.8 t80 -137.65 -87.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.543 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 40.21 -151.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -60.8 3.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -107.03 143.99 34.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 140' ' ' GLU . . . -59.13 -149.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.463 ' HG2' ' CG ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -48.78 177.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 0.771 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.414 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.4 OUTLIER -173.8 173.41 1.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.3 Cg_endo -74.97 -32.43 5.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -144.94 74.32 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.4 m -165.85 143.94 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.464 HG22 ' C ' ' A' ' 112' ' ' GLY . 5.0 m -136.63 -177.91 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 133' ' ' GLU . 70.4 t80 -137.61 156.39 48.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.477 ' CE ' ' HG2' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -138.21 148.61 44.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.9 t -139.11 145.84 39.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.443 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 2.5 tmtm? -110.1 133.81 52.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -107.34 109.8 21.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.75 HD21 HD23 ' A' ' 107' ' ' LEU . 2.4 mm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.521 0.2 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -165.49 107.9 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.603 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.955 HG21 ' CG ' ' A' ' 94' ' ' HIS . 37.5 mm -120.29 137.63 53.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -141.34 174.57 10.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.554 HG12 ' CD1' ' A' ' 49' ' ' TRP . 47.5 mt -114.47 119.25 60.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -127.37 130.94 50.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.93 100.99 6.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 46.11 88.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -174.41 121.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.64 115.12 2.0 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.42 -29.26 15.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.754 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -71.7 -45.27 62.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.4 t -71.04 -36.07 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -71.34 -42.18 73.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 m -54.67 -35.04 63.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.823 HD23 HD21 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -63.77 -43.35 96.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.99 -44.95 92.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.515 ' O ' ' C ' ' A' ' 19' ' ' GLU . 5.0 m-80 -59.12 -22.44 60.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.515 ' C ' ' O ' ' A' ' 18' ' ' ASN . 1.3 pt-20 27.62 87.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -34.95 75.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.619 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.73 -56.25 16.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.443 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 2.3 t60 -100.51 82.63 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.2 178.2 7.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 26' ' ' LEU . 8.6 mtt -76.62 -171.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.8 m 60.46 -83.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 24' ' ' MET . 0.3 OUTLIER -61.09 -161.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.241 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.6 171.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m 65.02 95.95 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 158.86 41.69 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.802 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.07 7.74 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.472 1.775 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -120.98 107.05 12.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.2 p -39.63 155.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.6 mm 64.49 140.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.01 -72.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.603 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 53.96 82.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.7 tp 64.19 137.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.59 55.63 2.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mp -41.31 -67.89 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 0.766 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -90.94 49.91 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.04 -64.82 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.917 HD13 HD12 ' A' ' 46' ' ' ILE . 4.2 mm? -77.21 -28.75 53.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -79.42 59.59 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.37 165.22 26.78 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.1 18.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.564 1.823 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -95.78 48.58 1.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.917 HD12 HD13 ' A' ' 41' ' ' LEU . 10.1 mm -133.31 129.96 57.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.487 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 46.5 m -116.08 141.09 48.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.46 ' O ' HG23 ' A' ' 5' ' ' ILE . 2.8 m-85 -123.84 149.55 45.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.573 ' CH2' ' HG ' ' A' ' 63' ' ' LEU . 12.1 m-90 -127.96 123.77 35.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.0 m -110.01 137.87 47.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.053 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.59 ' HB2' ' CD1' ' A' ' 3' ' ' ILE . . . -110.87 136.69 49.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.357 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.486 ' CE3' ' HA ' ' A' ' 57' ' ' LEU . 17.1 m95 -117.26 122.25 43.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 107.999 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 7.1 tp10 -131.66 76.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.84 -132.3 6.81 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.95 -4.82 21.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -133.56 154.67 50.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.867 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -53.8 133.33 42.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.424 ' HB2' ' HB3' ' A' ' 53' ' ' GLU . . . -80.49 -36.93 32.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.526 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 171.37 -150.37 13.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 49' ' ' TRP . 25.4 p 178.14 163.19 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -143.92 -174.0 15.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.632 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -158.36 152.09 23.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.573 ' HG ' ' CH2' ' A' ' 49' ' ' TRP . 2.8 pp -155.91 134.27 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -109.6 135.37 50.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.67 152.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 66' ' ' LEU . 4.7 mt -133.63 -87.05 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.443 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -119.42 179.73 4.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.3 p -55.23 -36.5 66.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 105' ' ' GLU . 0.2 OUTLIER -134.08 32.39 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.443 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 4.4 t-160 -132.34 134.31 45.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.21 171.02 24.77 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -153.97 154.38 33.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 0.813 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.632 HG23 ' O ' ' A' ' 62' ' ' ALA . 2.1 mp -122.29 138.7 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.401 ' N ' ' HE3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -138.71 37.76 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.627 ' HB2' ' HB3' ' A' ' 62' ' ' ALA . 1.2 m -159.46 124.37 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.912 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 3.2 ttt -178.01 112.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -148.39 160.57 42.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.4 m -114.96 145.18 42.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.52 -61.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -132.47 158.71 41.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.49 -24.43 65.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.37 73.89 0.93 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.571 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.1 tp -124.54 157.92 34.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -91.9 154.02 19.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.64 143.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -78.15 91.52 1.13 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.2 t -50.98 -60.93 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.912 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -53.1 -32.21 46.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.451 ' HG2' ' CE2' ' A' ' 127' ' ' PHE . 1.0 OUTLIER -64.02 -44.43 92.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -58.27 -44.96 88.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 79.0 t -73.29 -49.99 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.848 HD23 ' CD2' ' A' ' 127' ' ' PHE . 14.5 tp -48.02 -46.89 33.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -48.56 72.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.955 ' CG ' HG21 ' A' ' 3' ' ' ILE . 39.1 t60 -63.15 -44.06 96.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.575 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.529 HG21 HG12 ' A' ' 73' ' ' ILE . 53.5 mt -59.22 -52.27 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.556 HD12 ' CE1' ' A' ' 127' ' ' PHE . 73.4 mt -57.62 -42.22 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -43.77 97.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -55.04 -47.27 75.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.612 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . . . -68.82 -31.69 70.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -23.29 65.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -77.63 -43.46 31.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -80.12 -33.79 38.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.63 57.89 2.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.612 ' CD2' ' HA ' ' A' ' 99' ' ' ALA . 23.8 m-85 -64.58 -172.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -106.81 -39.86 5.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.15 161.1 24.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 149' ' ' LYS . 0.6 OUTLIER -117.48 122.27 43.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 92.7 p -105.88 168.21 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.907 HD13 ' CE1' ' A' ' 124' ' ' TYR . 1.0 OUTLIER -161.1 166.22 28.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -103.11 102.9 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.56 HG22 HG23 ' A' ' 145' ' ' VAL . 1.2 m -137.28 128.36 27.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.2 44.81 0.97 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.547 ' OG ' HG13 ' A' ' 145' ' ' VAL . 1.4 m 53.56 25.05 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.974 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.509 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -62.12 129.54 41.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.97 -28.52 38.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.9 p -74.34 -29.34 61.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.47 ' HD2' ' HB2' ' A' ' 120' ' ' ALA . 10.8 m-85 -123.37 33.06 5.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.0 OUTLIER -56.14 -54.31 53.98 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.98 -21.45 15.89 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.47 ' HB2' ' HD2' ' A' ' 117' ' ' PHE . . . -50.77 -51.48 49.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 5.4 ppt_? -64.4 -31.04 72.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.4 OUTLIER -74.06 -33.87 63.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.516 HD13 ' C ' ' A' ' 123' ' ' LEU . 3.3 tm? -73.14 -41.88 63.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.907 ' CE1' HD13 ' A' ' 109' ' ' LEU . 11.6 m-85 -61.54 -53.3 58.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.488 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.6 OUTLIER -61.57 -27.74 68.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.8 t -69.73 -11.53 60.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.848 ' CD2' HD23 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -98.33 -17.31 18.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.984 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 138.18 -30.67 2.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.614 ' CE2' HD23 ' A' ' 109' ' ' LEU . 9.5 m-85 -37.24 135.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -124.07 145.52 49.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -60.49 140.59 57.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -168.54 -173.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.87 141.97 1.19 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.98 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -95.31 -25.85 16.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -42.29 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -137.15 28.8 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 52.21 173.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.27 149.22 6.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -98.28 170.76 8.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -167.53 145.62 3.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.55 21.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -128.45 66.96 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.4 m -173.56 147.92 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.044 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.56 HG23 HG22 ' A' ' 111' ' ' THR . 28.2 m -127.48 137.34 58.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.523 ' CD1' ' HB3' ' A' ' 134' ' ' PRO . 0.3 OUTLIER -133.38 148.72 51.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.95 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.488 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -158.4 165.31 34.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 10.8 t -139.34 156.93 46.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . 0.3 OUTLIER -100.62 138.92 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.58 111.1 20.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.487 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 13.3 mtt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.51 0.195 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 1' ' ' MET . 42.0 m-70 -165.02 108.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.816 HD13 ' HA ' ' A' ' 51' ' ' ALA . 22.6 mm -118.96 137.08 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 3' ' ' ILE . 9.3 mtpt -158.99 176.43 12.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.1 mt -87.18 141.73 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.31 127.32 40.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -124.17 153.63 41.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.502 HD23 HG21 ' A' ' 14' ' ' VAL . 2.7 mt -59.97 82.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 9' ' ' THR . 1.3 t -160.92 25.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.23 97.54 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -52.18 -26.62 11.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.765 . . . . 0.0 110.27 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -69.58 -44.04 71.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.51 HG21 ' CH2' ' A' ' 52' ' ' TRP . 53.9 t -71.95 -39.82 67.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.502 HG21 HD23 ' A' ' 8' ' ' LEU . 53.8 t -71.56 -46.45 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 22.8 t -50.66 -53.13 33.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.55 HD13 HD21 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -53.29 -46.09 69.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 13' ' ' VAL . 63.7 t -63.26 -43.34 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.434 HD22 HG12 ' A' ' 14' ' ' VAL . 3.4 m-80 -58.09 -70.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -177.27 108.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -94.51 -45.26 7.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.622 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -59.42 2.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 62.55 100.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.599 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.5 p 179.45 78.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -146.16 164.59 31.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 p -128.36 -57.72 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.679 HD22 ' C ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -50.14 150.48 2.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.98 160.6 39.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 p -45.84 161.09 0.26 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.5 29.07 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.547 1.814 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -135.85 -155.56 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.02 91.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.512 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.8 mt 43.13 69.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.534 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 46.7 m80 68.35 -74.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . 73.26 130.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.3 tp -146.83 -129.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' LYS . . . -153.64 32.06 0.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mp -41.15 -35.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -107.16 49.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 37' ' ' GLY . 7.8 mttt -137.17 -69.64 0.46 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.674 HD13 HG21 ' A' ' 46' ' ' ILE . 4.0 mm? -73.91 -35.73 64.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' HG3' HD11 ' A' ' 8' ' ' LEU . 1.7 ttt180 -95.09 61.63 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.42 179.66 34.86 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.451 1.094 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -40.18 -34.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.674 HG21 HD13 ' A' ' 41' ' ' LEU . 4.2 mt -113.04 158.55 13.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.608 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 4.4 m -131.71 142.89 49.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.432 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -116.24 120.54 39.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.608 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 19.7 m-90 -98.93 138.64 35.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 107.96 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.471 ' HA ' ' CB ' ' A' ' 60' ' ' CYS . 11.8 p -123.04 170.21 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.861 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -135.94 120.78 18.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.51 ' CH2' HG21 ' A' ' 13' ' ' VAL . 6.9 m95 -107.59 120.38 42.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -125.15 76.76 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.15 -131.0 6.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.49 -12.09 15.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -118.73 162.38 18.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.919 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -65.28 129.67 40.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.861 ' HB3' ' O ' ' A' ' 51' ' ' ALA . . . -80.9 -39.5 26.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.64 -166.58 36.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 17.1 p -177.98 170.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . -152.35 -176.45 25.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.725 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -112.18 154.19 25.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 0.741 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.908 HD12 HG23 ' A' ' 95' ' ' ILE . 4.7 tt -156.93 115.25 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -122.51 140.32 52.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.97 151.18 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 -61.0 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.08 -163.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -76.13 -36.3 58.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.05 41.8 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -142.3 138.19 31.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.609 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -139.19 164.42 25.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -146.68 143.73 28.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.76 . . . . 0.0 110.281 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.938 HG12 HD13 ' A' ' 95' ' ' ILE . 4.7 mp -120.94 131.55 72.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -132.96 64.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.96 97.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.497 ' HE3' ' O ' ' A' ' 88' ' ' ALA . 1.9 tpt -137.22 88.48 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.05 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -126.9 137.6 53.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.547 ' HB ' ' CD2' ' A' ' 82' ' ' HIS . 20.2 m -86.44 -71.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.47 ' HB2' HD11 ' A' ' 16' ' ' LEU . 4.7 t 166.75 63.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.047 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 62.11 116.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.524 ' O ' ' CG ' ' A' ' 82' ' ' HIS . 0.2 OUTLIER 75.27 -55.5 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.965 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.547 ' CD2' ' HB ' ' A' ' 78' ' ' THR . 1.5 m170 88.73 115.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 pp -72.99 158.99 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.45 104.29 16.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.08 -57.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.37 52.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.613 HG22 ' HB1' ' A' ' 58' ' ' ALA . 2.7 t -74.56 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.497 ' O ' ' HE3' ' A' ' 76' ' ' MET . . . -55.79 -34.43 65.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -46.66 87.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.366 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.501 ' HB3' HD11 ' A' ' 3' ' ' ILE . 7.9 mm100 -57.09 -48.06 79.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.02 -49.0 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.862 HD23 ' CD2' ' A' ' 127' ' ' PHE . 6.0 tp -56.72 -51.25 69.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -37.08 66.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.612 ' CE1' ' CG2' ' A' ' 3' ' ' ILE . 12.0 t-160 -66.63 -55.19 16.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.938 HD13 HG12 ' A' ' 73' ' ' ILE . 26.4 mt -53.88 -43.8 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.683 ' CD1' ' CE1' ' A' ' 127' ' ' PHE . 67.4 mt -60.98 -56.04 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -37.52 67.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -48.94 79.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.45 -32.71 73.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.476 ' CD ' HD11 ' A' ' 151' ' ' LEU . 0.8 OUTLIER -63.34 -38.99 93.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -16.42 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.74 -42.98 10.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.243 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 113.94 47.01 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.478 ' O ' HD23 ' A' ' 151' ' ' LEU . 3.8 m-85 -93.99 164.76 12.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.65 13.66 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -155.62 144.52 20.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.472 HD21 HG22 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -143.6 118.86 10.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.1 t -101.03 169.16 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.851 HD13 ' CE2' ' A' ' 124' ' ' TYR . 1.2 pp -148.97 163.21 38.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.414 ' N ' HD12 ' A' ' 109' ' ' LEU . 1.4 tt0 -103.82 104.67 14.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.61 ' CG2' HD11 ' A' ' 109' ' ' LEU . 2.2 t -144.44 140.51 29.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.437 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -147.54 36.91 1.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 p 52.97 38.69 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.062 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.581 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -90.84 136.99 32.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.83 -32.31 43.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.1 t -66.3 -34.23 77.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -122.49 37.5 4.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 2.3 mt-10 -65.79 -50.98 51.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.97 -22.96 14.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -55.99 -49.77 72.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 118' ' ' GLU . 23.1 ptt85 -67.15 -33.93 76.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -71.82 -30.29 65.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.66 HD13 ' C ' ' A' ' 123' ' ' LEU . 1.5 tm? -77.19 -38.63 51.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.851 ' CE2' HD13 ' A' ' 109' ' ' LEU . 9.2 m-85 -64.89 -51.49 61.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.475 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.3 pp20? -59.44 -33.03 70.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.8 t -68.7 -11.79 60.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.862 ' CD2' HD23 ' A' ' 92' ' ' LEU . 2.5 t80 -98.37 -17.07 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.45 ' O ' ' NE2' ' A' ' 130' ' ' GLN . . . 136.54 -35.17 2.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.695 ' CD1' HD23 ' A' ' 109' ' ' LEU . 22.0 m-85 -37.95 137.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.475 HE21 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -127.81 151.93 48.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -60.32 148.13 38.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 1.2 m -169.72 179.66 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.336 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -49.81 149.41 4.6 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.97 162.45 37.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -145.23 -45.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -44.98 159.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.4 -49.29 5.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -52.86 139.74 26.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -107.48 179.14 22.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -43.21 166.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.11 166.93 0.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.41 9.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -150.3 75.98 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.61 132.9 3.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.59 ' C ' ' CD1' ' A' ' 146' ' ' PHE . 4.0 m -135.54 149.23 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 145' ' ' VAL . 6.1 m-85 -145.27 143.63 30.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.493 ' CG ' HD21 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -141.66 154.01 45.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.2 t -127.21 155.94 42.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.373 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 129' ' ' PHE . 9.7 tmtt? -111.38 144.47 40.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -110.96 107.77 17.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 104' ' ' TYR . 8.0 tp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.527 0.203 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -165.03 108.55 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.706 ' CG2' ' CE1' ' A' ' 94' ' ' HIS . 12.6 mm -119.4 136.91 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 179.15 7.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.552 HG12 ' CD1' ' A' ' 49' ' ' TRP . 9.6 mt -110.44 138.19 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.408 ' CB ' ' OG ' ' A' ' 50' ' ' SER . 9.1 t70 -125.28 124.77 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -122.69 104.12 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 7' ' ' ASP . 0.6 OUTLIER 37.54 60.43 1.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -154.73 109.22 2.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 119.85 118.08 2.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -63.9 -53.05 56.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -60.41 -33.6 72.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.754 HG22 HD11 ' A' ' 57' ' ' LEU . 15.8 t -72.3 -49.45 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 10' ' ' GLY . 39.5 t -61.19 -49.62 83.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -52.79 -40.88 63.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -38.41 80.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.7 t -75.6 -30.6 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -76.91 -69.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HG2' ' CG ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER 170.39 88.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -94.65 -56.55 2.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.618 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -60.02 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.42 ' CG ' ' HG2' ' A' ' 19' ' ' GLU . 19.0 t-160 42.26 67.06 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.636 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 t -44.34 119.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.41 150.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.9 m 62.35 123.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.535 HD12 ' HB2' ' A' ' 27' ' ' MET . 2.3 pp -106.33 153.39 22.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.535 ' HB2' HD12 ' A' ' 26' ' ' LEU . 3.7 tpt 72.51 128.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.21 123.77 49.59 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 173.21 14.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.5 2.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -70.57 88.46 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 p -137.86 49.02 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.431 ' O ' ' CG2' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -79.64 116.6 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.438 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 46.0 t-80 42.37 41.79 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.588 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . 68.25 132.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 36' ' ' LEU . 6.7 tp -121.69 -140.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.073 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.32 49.97 0.63 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.426 1.079 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mp -44.79 -34.88 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.262 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -88.63 44.3 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -123.08 -68.42 0.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.62 HD21 ' O ' ' A' ' 74' ' ' LYS . 4.3 mp -82.92 55.71 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -164.89 42.07 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.262 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.8 -176.01 21.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -47.16 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -42.53 -30.47 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.51 HD11 ' HG3' ' A' ' 64' ' ' LYS . 6.5 mm -95.5 129.32 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.596 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 93.8 m -109.33 137.97 46.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 62' ' ' ALA . 7.0 m-85 -117.6 127.81 54.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.596 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 17.0 m-90 -104.52 141.0 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.408 ' OG ' ' CB ' ' A' ' 6' ' ' ASP . 71.4 m -129.01 144.15 51.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.799 ' C ' ' HB3' ' A' ' 58' ' ' ALA . . . -117.45 133.36 56.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -117.43 126.14 52.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 108.032 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.603 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 60.1 tt0 -135.88 77.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.37 -133.66 11.77 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.65 13.3 30.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.343 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -133.38 148.04 51.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.754 HD11 HG22 ' A' ' 13' ' ' VAL . 3.2 mm? -57.06 119.01 5.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.892 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -68.06 -20.5 64.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.32 177.61 17.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.458 ' O ' HG11 ' A' ' 91' ' ' VAL . 63.7 m -140.84 151.94 44.74 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -157.55 147.89 16.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.426 ' HB2' ' CD1' ' A' ' 48' ' ' PHE . . . -155.34 155.68 34.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.666 HD22 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -142.36 139.67 31.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.51 ' HG3' HD11 ' A' ' 46' ' ' ILE . 25.1 ttpt -96.82 135.81 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.38 112.75 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.464 HD22 ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -93.44 -77.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 37.8 m-20 -121.49 -172.87 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.1 t -66.8 -32.56 73.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -131.35 21.03 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.464 ' CD2' HD22 ' A' ' 66' ' ' LEU . 2.6 t60 -127.13 143.45 51.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.588 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -146.92 179.99 23.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 21.6 tt0 -162.57 149.91 13.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 108' ' ' SER . 1.4 mp -91.92 120.44 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.62 ' O ' HD21 ' A' ' 41' ' ' LEU . 7.2 mmpt? -120.78 43.76 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.3 t -176.5 116.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 173.11 111.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.36 114.8 11.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 96.0 m -155.31 146.31 22.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.397 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.1 t -178.12 40.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.45 150.07 25.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.6 p -107.28 33.48 3.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.034 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -104.47 -10.83 17.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.586 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mt -143.07 149.35 38.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.2 114.32 18.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.0 86.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.72 -62.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 58' ' ' ALA . 24.7 t -62.19 -61.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.98 -31.12 71.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -46.69 73.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.15 -55.01 39.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.458 HG11 ' O ' ' A' ' 60' ' ' CYS . 89.2 t -56.69 -48.78 80.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 50.3 tp -56.59 -45.49 81.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -36.62 78.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.706 ' CE1' ' CG2' ' A' ' 3' ' ' ILE . 8.1 t-160 -65.76 -50.62 64.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.625 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.61 HG13 HD12 ' A' ' 63' ' ' LEU . 1.3 mp -53.03 -47.88 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.695 HD13 ' CE1' ' A' ' 127' ' ' PHE . 21.4 mt -61.51 -37.88 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -52.93 60.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.457 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 1.6 mp0 -55.51 -46.36 76.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.596 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . . . -70.38 -30.57 67.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.544 ' HG3' HG22 ' A' ' 96' ' ' ILE . 0.9 OUTLIER -71.46 -40.04 70.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -29.28 61.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -43.11 40.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.08 52.12 1.67 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.596 ' CD2' ' HA ' ' A' ' 99' ' ' ALA . 22.5 m-85 -74.21 -173.36 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -111.88 -34.58 5.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.05 158.96 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.2 mt -116.43 120.14 37.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.735 ' O ' HD12 ' A' ' 73' ' ' ILE . 64.3 p -101.14 169.02 9.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.962 HD22 ' CD1' ' A' ' 124' ' ' TYR . 1.4 pp -156.82 170.0 23.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -105.48 109.8 21.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.602 HG23 HD13 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -144.27 123.33 12.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.553 ' HA2' HG22 ' A' ' 145' ' ' VAL . . . -142.46 53.11 0.63 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 p 42.05 53.52 4.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.616 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -105.25 134.71 47.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.53 -46.87 70.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 96.4 p -56.67 -28.53 60.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -124.91 39.32 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 2.6 mt-10 -74.92 -50.34 4.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -75.01 -27.25 10.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.0 86.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.449 ' NE ' ' OH ' ' A' ' 131' ' ' TYR . 18.3 ttp-105 -71.82 -35.13 69.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.16 -28.18 60.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 123' ' ' LEU . 2.0 tm? -75.39 -38.91 59.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.962 ' CD1' HD22 ' A' ' 109' ' ' LEU . 4.7 m-85 -63.63 -51.99 62.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.5 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.4 OUTLIER -62.81 -28.07 69.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.7 m -62.83 -14.07 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.695 ' CE1' HD13 ' A' ' 96' ' ' ILE . 53.8 t80 -98.95 -17.47 18.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 132.88 -26.1 3.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 149' ' ' LYS . 12.4 m-85 -34.91 131.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -102.35 147.35 26.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.503 ' CE1' ' CE ' ' A' ' 147' ' ' MET . 15.6 m-85 -79.54 83.58 5.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.445 ' O ' ' O ' ' A' ' 133' ' ' GLU . 89.1 m -153.04 157.8 41.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 108.258 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 132' ' ' CYS . 1.4 tt0 55.88 113.91 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.546 ' O ' ' CG ' ' A' ' 135' ' ' PHE . 18.1 Cg_endo -75.04 177.74 8.2 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.809 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 108' ' ' SER . 13.2 m-85 -173.64 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 135' ' ' PHE . . . -40.05 154.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.66 -44.56 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -60.97 175.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -123.15 -168.54 13.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 141' ' ' ASP . 44.4 mt-10 -59.1 153.66 17.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 110.329 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 140' ' ' GLU . 7.7 m-20 163.14 161.55 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 0.27 9.07 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -129.18 58.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.3 t -151.68 178.9 8.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.553 HG22 ' HA2' ' A' ' 112' ' ' GLY . 35.0 m -140.43 179.99 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 146' ' ' PHE . 0.0 OUTLIER -154.81 163.73 39.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.792 ' CB ' HD11 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -159.57 129.17 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.048 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.6 t -139.24 148.98 43.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -120.54 146.48 46.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.4 122.38 46.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.555 0.216 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.435 ' NE2' ' HG3' ' A' ' 4' ' ' LYS . 10.0 t-160 -165.15 107.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.582 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.652 HG21 ' CG ' ' A' ' 94' ' ' HIS . 6.7 mm -120.2 137.42 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.435 ' HG3' ' NE2' ' A' ' 2' ' ' HIS . 5.9 mttt -143.46 177.14 8.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.571 HG12 ' CD1' ' A' ' 49' ' ' TRP . 10.9 mt -111.3 131.56 62.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' OD1' HG11 ' A' ' 13' ' ' VAL . 4.6 t0 -96.18 118.76 33.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 8' ' ' LEU . 4.8 m-20 -125.2 100.77 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 7' ' ' ASP . 2.8 mp 39.67 59.03 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.69 160.78 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 115.62 105.82 2.53 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -56.83 6.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -60.18 -30.66 69.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.859 HG23 ' CH2' ' A' ' 52' ' ' TRP . 2.7 t -74.69 -53.6 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' GLY . 25.2 t -58.85 -45.68 91.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -33.08 59.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -73.23 -44.57 59.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.12 -23.02 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -92.7 -19.93 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.26 166.41 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -53.12 -31.26 41.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.642 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.2 -52.93 39.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 59.11 159.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.606 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.5 p -114.57 135.29 54.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.1 ptm -44.75 127.4 6.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 p -87.11 -20.81 26.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.37 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 49.76 85.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.7 ttt -39.04 145.44 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.63 162.63 52.51 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.51 16.22 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -172.79 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.451 1.764 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 62.9 63.09 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.1 p -178.85 64.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.0 mp -41.93 116.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.546 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 2.9 m80 59.5 -179.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . 74.02 134.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 36' ' ' LEU . 6.5 tp -122.91 -136.1 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.65 51.57 0.54 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 36' ' ' LEU . 5.1 mp -66.64 -37.91 85.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -83.28 -6.01 59.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.84 -76.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.643 HD12 ' CZ ' ' A' ' 48' ' ' PHE . 1.6 mm? -57.31 -36.29 70.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -96.64 57.05 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.6 175.1 28.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.43 9.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.441 1.759 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -60.45 -32.99 71.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.619 HG21 HD13 ' A' ' 41' ' ' LEU . 6.7 mt -114.4 141.15 31.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.594 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 17.7 m -107.87 139.48 42.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.643 ' CZ ' HD12 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -116.74 122.34 44.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.594 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 17.4 m-90 -105.96 135.1 48.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 108.021 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 m -134.64 138.38 44.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.84 ' C ' ' HB3' ' A' ' 58' ' ' ALA . . . -104.67 134.96 46.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.859 ' CH2' HG23 ' A' ' 13' ' ' VAL . 6.6 m95 -117.64 129.52 55.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.595 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 2.1 tt0 -135.47 76.75 1.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.9 -130.15 9.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.53 3.83 27.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -123.63 -177.27 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 13' ' ' VAL . 1.1 mt -76.33 149.61 37.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.84 ' HB3' ' C ' ' A' ' 51' ' ' ALA . . . -111.12 -18.17 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.73 ' HA2' HG21 ' A' ' 78' ' ' THR . . . 152.16 160.37 9.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -136.27 137.45 40.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -138.44 153.95 22.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.518 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . . . -143.34 152.09 41.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.554 ' HG ' ' CH2' ' A' ' 49' ' ' TRP . 1.5 pp -157.59 120.79 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HG3' HD11 ' A' ' 46' ' ' ILE . 8.6 ttpt -99.1 126.77 44.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -41.11 150.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.489 HD13 ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -140.09 -87.91 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -117.02 -175.11 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 t -70.55 -27.29 64.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -136.45 30.5 2.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -135.09 137.14 42.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.578 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.14 165.49 26.62 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.489 ' HG3' HD13 ' A' ' 66' ' ' LEU . 5.1 mt-10 -145.5 148.95 33.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.564 HD11 ' CD2' ' A' ' 107' ' ' LEU . 3.2 mp -118.13 139.27 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.06 47.12 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.13 118.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.537 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -159.25 57.87 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.32 150.65 30.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.73 HG21 ' HA2' ' A' ' 59' ' ' GLY . 15.1 t -173.79 158.79 3.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 p 60.65 152.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.22 52.11 2.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.03 29.09 5.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.96 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -90.31 -7.45 53.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mt -116.53 150.64 37.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -101.89 97.08 7.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 48.58 -173.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.46 -61.02 1.51 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.744 HG12 ' O ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -45.89 -57.05 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.537 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -55.65 -39.04 70.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -48.82 72.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.439 ' HB3' HD11 ' A' ' 3' ' ' ILE . 4.4 mm100 -56.97 -50.31 73.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.462 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 59.9 t -61.23 -54.81 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.814 HD22 HD12 ' A' ' 123' ' ' LEU . 5.8 tp -48.36 -50.87 28.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -43.56 73.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.652 ' CG ' HG21 ' A' ' 3' ' ' ILE . 9.2 t-160 -64.88 -39.56 93.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.646 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.0 mm -57.3 -53.78 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.478 HD12 ' CE1' ' A' ' 127' ' ' PHE . 48.1 mt -60.76 -50.25 81.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -46.4 78.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -59.32 -46.92 87.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.73 -31.06 68.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -59.04 -33.98 71.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -52.68 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -53.57 -40.79 65.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.03 61.18 0.95 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.48 1.113 . . . . 0.0 111.054 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 102' ' ' ARG . 56.5 m-85 -97.91 165.81 11.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.747 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.8 12.16 2.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.27 136.98 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.761 HD12 HD11 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -138.36 139.79 39.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.533 ' O ' HD12 ' A' ' 73' ' ' ILE . 59.6 p -109.67 169.13 8.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.954 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.932 HD23 ' CE1' ' A' ' 129' ' ' PHE . 0.6 OUTLIER -160.11 168.83 24.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.832 ' N ' HD12 ' A' ' 109' ' ' LEU . 1.2 pm0 -104.96 107.38 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.639 ' HB ' HD11 ' A' ' 109' ' ' LEU . 1.6 m -157.51 125.58 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.607 ' HA2' HG22 ' A' ' 145' ' ' VAL . . . -153.49 28.51 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 1.3 m 90.58 -14.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 110.043 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.558 ' HG2' ' CD2' ' A' ' 117' ' ' PHE . 1.6 tpt -36.08 117.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.31 -48.81 65.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -22.51 6.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.558 ' CD2' ' HG2' ' A' ' 114' ' ' MET . 25.1 m-85 -124.96 31.19 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.3 mt-10 -61.67 -50.29 82.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -74.98 -21.85 15.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.502 1.79 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.94 -46.87 61.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 121' ' ' ARG . 13.2 ttp-105 -66.22 -41.68 89.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -33.31 69.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.366 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.814 HD12 HD22 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -72.23 -38.05 69.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.882 ' CE1' HD13 ' A' ' 109' ' ' LEU . 7.1 m-85 -71.52 -50.46 31.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.465 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 28.9 mt-10 -55.21 -25.05 30.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -21.47 61.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.798 ' CD2' HD23 ' A' ' 92' ' ' LEU . 2.4 m-85 -91.56 -17.12 26.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 117.24 -8.12 16.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.932 ' CE1' HD23 ' A' ' 109' ' ' LEU . 3.5 m-85 -38.21 134.44 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -124.59 166.87 15.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -80.02 137.71 36.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.483 ' O ' ' CD1' ' A' ' 146' ' ' PHE . 0.1 OUTLIER -160.87 -164.71 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.266 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 132' ' ' CYS . 1.9 mp0 -38.64 123.4 1.16 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.99 164.61 33.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.812 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -176.1 -69.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 111.058 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . 39.64 -153.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -93.09 14.97 16.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -144.11 -147.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -140.01 163.89 26.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.97 165.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -177.03 166.6 1.36 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -8.92 20.55 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.444 1.76 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -139.72 69.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.31 178.58 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.607 HG22 ' HA2' ' A' ' 112' ' ' GLY . 5.7 m -150.72 171.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 134' ' ' PRO . 0.7 OUTLIER -146.87 165.48 29.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.956 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.549 ' HB3' HD21 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -158.16 144.53 17.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 132' ' ' CYS . 0.7 OUTLIER -139.06 148.57 43.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.411 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 9.1 tmtm? -105.91 124.03 48.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.16 103.55 13.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.761 HD11 HD12 ' A' ' 107' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.8 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.524 0.202 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.34 111.75 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.634 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.577 HD13 ' CB ' ' A' ' 51' ' ' ALA . 12.0 mm -116.5 136.4 53.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.81 176.74 8.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.517 HG12 ' CD1' ' A' ' 49' ' ' TRP . 41.1 mt -112.94 130.83 66.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -131.93 140.2 48.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.41 103.06 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.59 -173.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 63.92 144.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 100.48 117.41 4.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -55.64 31.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -66.93 -32.11 73.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.5 -49.66 68.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 10' ' ' GLY . 72.5 t -69.94 -49.08 59.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -51.43 -33.08 29.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.881 HD21 ' O ' ' A' ' 77' ' ' ARG . 3.0 tm? -67.92 -42.91 80.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.873 HG22 ' CZ ' ' A' ' 48' ' ' PHE . 75.4 t -67.07 -44.06 88.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.68 -70.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 169.16 99.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -96.68 -51.11 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.597 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -71.09 -36.85 72.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -90.92 131.92 36.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.623 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 t -92.51 -173.98 3.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.9 99.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.9 t -89.92 143.72 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.408 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 pp -44.49 143.5 1.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.1 ttt -54.76 140.9 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 m -69.09 136.57 89.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.04 27.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 111.018 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -174.89 2.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.527 1.803 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -39.31 -59.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 m 175.13 83.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -159.21 39.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -143.43 -69.35 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.597 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 45.15 86.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 tp -43.81 -44.3 6.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.06 59.21 0.62 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.69 -100.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 41.84 52.45 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -143.37 -71.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.64 ' HA ' HG21 ' A' ' 46' ' ' ILE . 4.8 mp -82.68 51.95 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 178.07 69.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.21 177.71 37.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 53.96 3.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.47 -41.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.808 HD13 ' HB2' ' A' ' 64' ' ' LYS . 1.4 mm -90.0 135.54 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.504 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 38.2 m -129.34 134.6 47.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.391 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.873 ' CZ ' HG22 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -108.56 120.2 41.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CD1' ' CD2' ' A' ' 94' ' ' HIS . 12.2 m-90 -91.38 132.72 36.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.0 m -122.3 129.85 52.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.701 ' C ' ' HB3' ' A' ' 58' ' ' ALA . . . -99.37 134.55 42.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.535 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 4.0 m95 -123.51 131.94 53.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.008 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.443 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 11.8 tt0 -142.82 76.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.31 -132.47 11.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.04 17.48 24.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -137.3 139.52 40.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.535 HD21 ' CZ3' ' A' ' 52' ' ' TRP . 2.8 mm? -53.65 123.97 13.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.701 ' HB3' ' C ' ' A' ' 51' ' ' ALA . . . -77.22 -15.15 59.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.474 ' CA ' HG13 ' A' ' 87' ' ' VAL . . . 143.57 171.63 13.93 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.438 1.086 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.549 ' HB2' HD12 ' A' ' 16' ' ' LEU . 87.4 m -149.71 157.0 42.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -177.49 152.8 12.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 74' ' ' LYS . . . -107.23 157.58 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.444 HD23 ' CH2' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -154.51 114.89 3.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.808 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -126.45 129.29 48.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -48.01 156.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 72' ' ' GLU . 3.3 mt -129.9 -65.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.28 -168.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -61.37 -42.39 98.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.0 mtt-85 -134.94 36.58 3.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -137.22 135.21 37.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.22 175.11 21.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' HB2' HD12 ' A' ' 66' ' ' LEU . 41.5 tt0 -148.74 159.59 43.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.754 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 73' ' ' ILE . 1.8 mp -109.97 137.59 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 62' ' ' ALA . 8.0 mmpt? -121.63 144.52 48.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 74' ' ' LYS . 58.3 m 42.04 92.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.32 98.05 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.881 ' O ' HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -136.78 138.55 41.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 t -80.41 -175.13 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.3 t -118.45 153.46 34.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.47 ' HB2' HD22 ' A' ' 21' ' ' LEU . . . -95.1 60.38 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.846 ' OG ' HD12 ' A' ' 83' ' ' LEU . 21.6 p -98.1 24.78 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 21.3 m170 65.77 47.64 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.61 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.846 HD12 ' OG ' ' A' ' 81' ' ' SER . 11.0 mt -116.62 159.12 22.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -126.41 105.79 9.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.53 ' HG3' HD23 ' A' ' 123' ' ' LEU . 0.0 OUTLIER 44.32 90.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.43 -62.24 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.627 HG23 HD13 ' A' ' 83' ' ' LEU . 3.2 t -46.87 -61.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.52 -31.43 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -42.36 89.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.43 ' NE2' ' OE1' ' A' ' 53' ' ' GLU . 8.3 mm-40 -57.4 -48.98 77.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.97 -55.1 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.699 ' O ' HD13 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -48.06 -37.17 14.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -41.86 94.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.574 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 33.7 t60 -73.41 -27.02 61.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.6 mm -62.42 -47.23 93.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.698 ' CD1' ' CE2' ' A' ' 127' ' ' PHE . 34.3 mt -67.9 -38.64 80.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -45.97 72.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -56.38 -47.66 78.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.629 ' CB ' HD11 ' A' ' 107' ' ' LEU . . . -69.8 -32.82 71.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.76 -38.74 73.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -15.36 61.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.25 -43.08 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.6 44.47 1.14 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.537 ' O ' HD22 ' A' ' 151' ' ' LEU . 3.5 m-30 -95.37 168.82 10.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.48 10.75 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -163.15 160.23 23.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.629 HD11 ' CB ' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -152.72 135.4 15.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.5 p -114.49 167.74 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.658 ' C ' HD12 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -170.26 166.4 8.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.626 ' N ' HD12 ' A' ' 109' ' ' LEU . 1.9 pt-20 -103.42 131.63 50.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.486 ' HB ' HD11 ' A' ' 109' ' ' LEU . 1.4 t -163.34 -178.89 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.785 ' HA2' HG22 ' A' ' 145' ' ' VAL . . . -175.95 -142.97 4.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 p -116.86 0.19 12.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 0.0 109.999 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.564 ' HB3' ' CD2' ' A' ' 117' ' ' PHE . 4.5 tpt -58.74 146.64 36.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.91 -29.37 28.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.6 t -76.53 -30.71 57.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.055 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 114' ' ' MET . 11.6 m-85 -105.03 14.67 28.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER -75.08 -53.07 2.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.93 -44.54 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.588 ' O ' ' CD1' ' A' ' 124' ' ' TYR . . . -52.04 -34.87 45.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -79.64 -33.27 41.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.424 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 0.3 OUTLIER -75.08 -26.77 59.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.65 HD13 ' C ' ' A' ' 123' ' ' LEU . 2.3 tm? -76.85 -36.43 56.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 120' ' ' ALA . 7.5 m-85 -70.35 -51.69 28.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.424 ' CG ' ' HA ' ' A' ' 122' ' ' LYS . 0.2 OUTLIER -59.68 -27.01 66.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -18.7 60.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.055 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.698 ' CE2' ' CD1' ' A' ' 96' ' ' ILE . 1.4 t80 -99.28 -17.21 18.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 133.83 -34.87 2.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 10.1 m-85 -33.87 135.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -120.27 153.56 36.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.491 ' HA ' ' O ' ' A' ' 146' ' ' PHE . 5.8 p90 -108.71 107.05 17.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 133' ' ' GLU . 59.3 m -101.87 -164.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 132' ' ' CYS . 2.5 pt-20 -37.09 149.77 0.16 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 159.61 41.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.588 ' CG ' ' N ' ' A' ' 136' ' ' ALA . 3.1 t80 -172.8 -86.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.588 ' N ' ' CG ' ' A' ' 135' ' ' PHE . . . 40.67 -101.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -137.87 29.56 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -151.53 -173.05 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 111.007 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -118.29 -169.97 14.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -50.28 156.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 110.318 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.1 159.35 3.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -10.38 21.21 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -148.17 69.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 34.3 m -166.47 139.05 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.785 HG22 ' HA2' ' A' ' 112' ' ' GLY . 22.0 m -149.08 -171.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 131' ' ' TYR . 79.0 t80 -153.55 132.31 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.26 138.17 40.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 7.2 t -139.96 133.29 29.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -101.3 132.15 46.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.245 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.84 110.8 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.537 HD22 ' O ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.42 ' HG2' ' NE2' ' A' ' 90' ' ' GLN . 3.5 mtt . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.483 0.182 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 109.08 0.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.776 HD13 ' CB ' ' A' ' 51' ' ' ALA . 24.9 mm -118.82 136.9 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -146.79 178.37 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.556 HG12 ' CD1' ' A' ' 49' ' ' TRP . 38.2 mt -108.06 133.16 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.536 ' OD2' HG11 ' A' ' 13' ' ' VAL . 26.9 t70 -95.17 118.76 32.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -125.09 100.95 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 55.64 168.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 10' ' ' GLY . 0.5 OUTLIER 64.68 168.14 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 9' ' ' THR . . . 100.59 92.2 2.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -50.07 72.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.16 -45.06 94.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.921 HG22 HD11 ' A' ' 57' ' ' LEU . 50.4 t -58.27 -54.38 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.3 t -61.27 -48.2 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -55.8 -36.82 67.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.52 -46.77 68.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.612 HG21 ' CZ ' ' A' ' 48' ' ' PHE . 54.2 t -64.41 -31.92 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -68.05 -64.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' OE2' ' CB ' ' A' ' 23' ' ' SER . 2.8 pt-20 178.94 106.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -96.61 -58.89 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.608 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 mp -76.37 -61.08 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -142.97 178.46 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.577 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.441 ' CB ' ' OE2' ' A' ' 19' ' ' GLU . 85.5 p -123.93 129.54 51.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -178.74 129.37 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.5 m -154.07 68.42 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 110.381 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 26' ' ' LEU . 5.0 mp 48.7 -175.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -118.33 172.62 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.2 p -127.65 143.98 49.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.951 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.42 18.35 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 105.27 2.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 176.09 -54.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.8 m -86.65 82.98 7.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.1 tt -79.36 0.34 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.616 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 3.0 p-80 -175.26 149.62 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.593 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . 78.72 78.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.8 tp -42.93 -58.86 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.3 51.7 0.62 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mp -59.15 -83.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 40.56 62.02 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.804 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -168.22 -71.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -87.69 46.74 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -170.72 75.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.249 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 174.47 166.02 31.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.44 1.087 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 53.59 3.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.778 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -138.94 -45.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.804 HD12 ' O ' ' A' ' 40' ' ' LYS . 7.6 mt -93.36 144.98 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.544 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 13.0 m -113.35 142.86 45.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.437 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.612 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -117.64 123.4 46.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.71 ' CH2' HD23 ' A' ' 63' ' ' LEU . 18.6 m-90 -100.44 151.98 20.91 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.1 m -165.08 145.44 7.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.776 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -103.89 166.09 10.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.478 ' HZ3' HD21 ' A' ' 57' ' ' LEU . 3.1 m95 -143.81 117.74 9.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 108.016 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.591 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 2.7 tt0 -131.64 76.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.88 -129.94 8.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.76 10.8 24.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -130.15 161.84 30.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.921 HD11 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -68.19 121.23 15.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HB2' ' N ' ' A' ' 53' ' ' GLU . . . -78.94 -9.46 59.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.587 ' HA3' HG23 ' A' ' 91' ' ' VAL . . . 152.54 149.58 5.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.544 1.152 . . . . 0.0 110.966 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.611 ' N ' HG21 ' A' ' 91' ' ' VAL . 25.2 p -147.1 158.92 44.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.425 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . -179.1 163.4 30.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.46 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . . . -118.19 144.52 45.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.71 HD23 ' CH2' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -146.27 114.58 6.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HG2' ' CE ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -97.86 151.18 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.79 124.05 28.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.06 -53.8 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 70' ' ' HIS . 3.8 m-20 -145.71 -178.47 6.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.3 t -64.54 -18.09 64.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -144.94 45.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.472 ' CB ' ' OD1' ' A' ' 67' ' ' ASP . 3.0 t-160 -146.44 147.47 31.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.579 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -158.68 135.74 4.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.461 ' O ' ' CE ' ' A' ' 74' ' ' LYS . 7.8 tt0 -127.43 132.41 50.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.764 HG12 HD13 ' A' ' 95' ' ' ILE . 4.0 mp -98.61 145.86 9.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.461 ' CE ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -140.29 59.96 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 t 177.72 155.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.608 ' SD ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 172.91 79.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -121.86 103.85 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.668 HG23 ' HB ' ' A' ' 87' ' ' VAL . 5.3 m -75.36 -97.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.536 ' N ' HG22 ' A' ' 78' ' ' THR . 0.3 OUTLIER -157.72 163.83 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.02 -62.82 0.76 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 p -170.44 37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -74.5 -114.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.623 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.15 152.64 36.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 mmm-85 -106.13 123.3 47.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 40.79 87.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.4 -58.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.668 ' HB ' HG23 ' A' ' 78' ' ' THR . 2.8 t -53.46 -59.43 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.618 ' HB2' ' OG1' ' A' ' 78' ' ' THR . . . -60.31 -35.84 76.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -60.63 -39.55 88.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.42 ' NE2' ' HG2' ' A' ' 1' ' ' MET . 6.0 mt-30 -57.44 -40.92 79.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.611 HG21 ' N ' ' A' ' 60' ' ' CYS . 25.2 t -74.84 -51.05 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.868 HD23 ' CD1' ' A' ' 127' ' ' PHE . 8.0 tp -51.58 -53.89 33.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -30.23 70.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 49' ' ' TRP . 20.5 t-160 -68.92 -57.86 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.631 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.764 HD13 HG12 ' A' ' 73' ' ' ILE . 12.6 mt -53.3 -46.56 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.07 -37.9 64.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -43.31 87.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.03 -47.6 85.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.42 ' HB1' ' CG ' ' A' ' 104' ' ' TYR . . . -69.52 -32.91 72.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.03 -52.25 65.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -53.0 58.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -38.97 93.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . 87.51 75.46 1.28 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.42 ' CG ' ' HB1' ' A' ' 99' ' ' ALA . 3.6 m-85 -83.49 -172.29 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -110.09 -35.16 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -162.97 157.66 21.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.4 mt -117.75 134.08 55.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.481 ' O ' HD12 ' A' ' 73' ' ' ILE . 11.7 m -101.92 166.93 10.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.075 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.978 HD23 ' CE2' ' A' ' 129' ' ' PHE . 4.5 pp -147.43 163.05 37.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.94 103.84 13.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.521 ' O ' ' CZ ' ' A' ' 138' ' ' TYR . 15.1 t -152.73 149.57 28.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . -164.62 28.51 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 1.4 m 91.01 -16.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 1.7 tpt -38.9 127.16 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.72 75.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.152 . . . . 0.0 109.362 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.87 -21.25 2.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -124.77 29.93 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 6.3 mt-10 -68.65 -50.54 24.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 110.254 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.98 -20.33 17.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.18 90.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.534 ' HA ' ' CD1' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -67.68 -37.74 82.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -31.59 72.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -30.35 58.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.624 ' CD1' HD22 ' A' ' 109' ' ' LEU . 18.9 m-30 -73.07 -50.1 24.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.93 -28.14 67.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.219 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -30.82 48.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.955 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.868 ' CD1' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -82.18 -17.0 47.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.44 82.27 1.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.978 ' CE2' HD23 ' A' ' 109' ' ' LEU . 2.3 m-85 -143.51 135.66 26.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 110.978 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -121.88 151.71 40.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -57.23 140.58 49.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.415 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 1.5 m -161.89 177.14 10.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 108.289 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -56.14 142.22 67.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 114.69 4.08 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.791 . . . . 0.0 111.037 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -92.87 -33.31 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -44.72 -90.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -154.83 -61.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.521 ' CZ ' ' O ' ' A' ' 111' ' ' THR . 2.8 p90 -44.21 159.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -126.02 -162.12 11.17 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -57.89 163.62 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 167.05 172.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -22.19 15.15 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.47 1.774 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -131.12 59.14 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 31.0 t -144.09 135.04 25.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 10.3 m -134.83 153.84 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 132' ' ' CYS . 0.4 OUTLIER -157.87 148.26 20.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.542 ' CG ' HD21 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -158.54 160.06 36.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.7 t -136.22 155.17 50.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -102.72 132.03 49.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -96.52 117.74 31.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.49 0.186 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.18 108.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.592 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.62 HG21 ' CG ' ' A' ' 94' ' ' HIS . 17.3 mm -119.73 137.28 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.56 176.65 8.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.522 HG12 ' CD1' ' A' ' 49' ' ' TRP . 31.1 mt -108.97 134.52 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 9' ' ' THR . 7.6 t70 -116.5 143.99 44.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -125.22 100.56 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 7' ' ' ASP . 1.0 OUTLIER 39.18 62.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.4 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 1.2 m -160.95 160.9 31.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 99.18 115.07 3.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mmt-85 -63.52 -56.23 17.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -60.88 -45.09 95.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.373 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.601 HG13 ' CB ' ' A' ' 60' ' ' CYS . 7.2 t -61.2 -39.82 83.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 10' ' ' GLY . 9.3 t -72.63 -50.78 31.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -41.39 57.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.686 HD12 ' O ' ' A' ' 77' ' ' ARG . 1.4 mm? -58.63 -44.38 90.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 13' ' ' VAL . 97.7 t -63.43 -49.66 81.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -61.94 -14.54 35.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 55.76 72.52 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -75.25 -44.69 44.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.612 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.837 HD13 ' HB3' ' A' ' 79' ' ' SER . 3.3 pp -62.15 -52.35 64.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.593 ' N ' HD12 ' A' ' 21' ' ' LEU . 14.8 t60 47.74 -173.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.409 ' H ' ' CD2' ' A' ' 22' ' ' HIS . 0.6 OUTLIER -116.65 -179.29 3.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -86.41 56.51 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.7 t -149.66 138.46 21.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 pp -167.49 109.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.5 tpt -179.15 -59.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.01 102.16 0.27 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.052 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 18.4 Cg_endo -74.92 147.26 34.04 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.487 1.783 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 29' ' ' PRO . 18.3 Cg_endo -74.98 -178.15 3.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -79.86 -57.18 3.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.86 175.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' HIS . 22.6 mm -101.8 126.34 55.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' ILE . 4.4 m170 39.42 59.06 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -174.89 123.35 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.6 tp -44.15 -54.6 5.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.08 55.94 0.47 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.453 ' H ' HD12 ' A' ' 38' ' ' LEU . 5.1 mp -74.09 -77.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 0.796 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 42.08 56.81 3.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.78 -67.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 mp -51.26 -39.55 56.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -80.03 56.1 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.01 174.46 21.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.153 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.428 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -75.0 166.43 29.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 44' ' ' PRO . 15.4 pt-20 43.3 54.99 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.555 HD13 ' HB2' ' A' ' 64' ' ' LYS . 6.7 mm -111.75 133.77 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.59 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 51.9 m -134.38 140.16 46.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -119.28 123.45 44.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 19.0 m-90 -100.32 149.29 23.76 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.9 p -144.84 151.41 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.579 ' CB ' ' CD1' ' A' ' 3' ' ' ILE . . . -113.52 149.06 34.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.557 ' CH2' ' CG2' ' A' ' 13' ' ' VAL . 14.3 m95 -143.17 116.65 9.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 108.059 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -129.8 76.64 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.84 -130.06 6.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.71 -4.97 21.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -127.81 154.84 44.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.548 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -53.16 154.1 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 87' ' ' VAL . . . -115.35 4.71 14.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.91 154.16 6.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.601 ' CB ' HG13 ' A' ' 13' ' ' VAL . 21.7 p -145.39 155.94 43.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . 172.13 167.49 32.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.568 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . . . -116.01 172.52 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.97 HD12 HG23 ' A' ' 95' ' ' ILE . 1.7 tt -163.59 118.23 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.555 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -126.3 132.05 51.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -52.57 155.57 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.45 -58.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -135.2 -169.82 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.4 t -61.19 -39.17 89.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.439 ' NH1' ' HB2' ' A' ' 69' ' ' ARG . 20.1 mtm105 -137.17 42.75 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.412 ' NE2' ' OG ' ' A' ' 108' ' ' SER . 8.8 t-80 -146.08 133.06 20.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.548 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -140.28 172.02 23.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -150.1 150.94 32.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.589 HG12 HG21 ' A' ' 95' ' ' ILE . 3.8 mp -109.78 141.48 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.53 -106.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.9 m -47.65 131.74 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.572 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 176.55 83.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.686 ' O ' HD12 ' A' ' 16' ' ' LEU . 20.5 mtt180 -144.22 153.37 41.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 m -163.95 149.86 11.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.837 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.1 OUTLIER 172.1 -156.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HB2' ' CB ' ' A' ' 21' ' ' LEU . . . 68.76 -168.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.7 p -74.87 63.94 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -137.26 -178.76 5.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.1 . . . . 0.0 109.589 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.7 mt -61.8 143.73 55.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.44 157.18 34.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 mptt 41.09 88.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.501 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . 149.46 -48.9 0.58 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 88' ' ' ALA . 1.1 t -54.4 -61.11 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.572 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -67.64 -38.45 83.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.491 ' HG3' HD11 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -58.85 -35.2 72.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 86' ' ' GLY . 3.4 mm100 -63.33 -44.91 93.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.5 t -68.09 -52.83 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.4 tp -48.21 -51.14 26.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -36.94 65.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.62 ' CG ' HG21 ' A' ' 3' ' ' ILE . 3.5 t-80 -68.31 -55.49 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.97 HG23 HD12 ' A' ' 63' ' ' LEU . 58.5 mt -53.24 -45.45 55.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.583 HD13 ' CE2' ' A' ' 127' ' ' PHE . 96.4 mt -58.33 -47.61 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -43.49 98.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.53 -49.91 71.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.497 ' HB1' ' CD1' ' A' ' 104' ' ' TYR . . . -66.73 -34.89 78.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -47.04 88.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -50.53 65.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -42.45 41.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.67 53.86 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.497 ' CD1' ' HB1' ' A' ' 99' ' ' ALA . 3.4 m-85 -94.51 163.65 13.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.772 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -139.18 13.21 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.418 ' N ' ' CD1' ' A' ' 151' ' ' LEU . 0.0 OUTLIER -162.82 154.69 18.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.546 HD12 HD21 ' A' ' 151' ' ' LEU . 0.9 OUTLIER -153.33 122.02 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.412 ' OG ' ' NE2' ' A' ' 70' ' ' HIS . 66.1 p -119.6 164.19 16.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.592 ' O ' ' CE2' ' A' ' 146' ' ' PHE . 1.1 pp -174.46 160.39 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.439 ' N ' HD12 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -93.84 124.04 37.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 111' ' ' THR . 7.7 t -172.22 99.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.588 ' C ' HG22 ' A' ' 145' ' ' VAL . . . -83.0 -113.9 0.52 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.7 p -153.93 40.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 109.99 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.61 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -80.4 145.41 32.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.73 -27.3 17.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.4 t -70.58 -38.49 74.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -120.92 40.4 3.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 2.6 mt-10 -72.89 -50.55 6.98 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -75.03 -21.22 16.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.63 -50.2 73.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 45.9 ptt85 -69.42 -33.31 72.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -69.99 -24.99 63.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.491 HD11 ' HG3' ' A' ' 89' ' ' LYS . 17.6 tp -76.49 -29.25 56.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.415 ' C ' ' HB2' ' A' ' 129' ' ' PHE . 14.0 m-30 -72.88 -52.31 15.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.469 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.2 pp20? -58.57 -26.88 64.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.27 -11.34 59.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.973 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.583 ' CE2' HD13 ' A' ' 96' ' ' ILE . 23.6 t80 -99.47 -17.49 17.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 135.73 -33.78 2.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 11.9 m-85 -34.75 151.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.93 150.82 49.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.598 ' CE2' ' SD ' ' A' ' 147' ' ' MET . 29.5 m-85 -92.35 96.55 10.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 133' ' ' GLU . 2.7 m -145.69 141.29 27.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 108.335 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 132' ' ' CYS . 1.3 tt0 57.14 115.14 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -74.96 178.7 6.9 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.794 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.631 ' CB ' ' CD2' ' A' ' 146' ' ' PHE . 0.1 OUTLIER 173.01 -164.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 135' ' ' PHE . . . 70.3 -63.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 135' ' ' PHE . 0.2 OUTLIER -93.75 5.62 51.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 137' ' ' ASP . 62.6 m-85 57.51 152.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 49.64 179.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.15 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.08 177.98 8.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 174.73 155.31 0.33 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -36.62 2.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.555 1.818 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -114.9 55.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.43 133.4 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.588 HG22 ' C ' ' A' ' 112' ' ' GLY . 11.7 m -146.74 -173.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.631 ' CD2' ' CB ' ' A' ' 135' ' ' PHE . 81.0 t80 -153.34 167.54 29.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -138.12 146.42 42.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 11.7 t -139.31 150.44 45.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -121.44 138.3 54.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.55 103.51 11.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.546 HD21 HD12 ' A' ' 107' ' ' LEU . 2.0 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.452 ' N ' ' OE2' ' A' ' 53' ' ' GLU . 39.0 mtm . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.428 0.156 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.66 108.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.593 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.713 HG21 ' CG ' ' A' ' 94' ' ' HIS . 15.5 mm -119.41 137.44 53.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.23 176.57 11.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.574 HG12 ' CD1' ' A' ' 49' ' ' TRP . 35.0 mt -111.7 133.6 56.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -127.78 142.14 51.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -124.75 101.19 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 40.42 82.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -170.48 128.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.72 116.97 4.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.541 1.15 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.62 -53.84 48.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -65.32 -29.33 70.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.72 HG22 HD11 ' A' ' 57' ' ' LEU . 40.2 t -72.43 -42.21 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.515 HG12 ' ND2' ' A' ' 18' ' ' ASN . 31.9 t -76.51 -44.06 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.2 t -51.52 -35.69 41.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.88 -43.73 82.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.618 HG21 ' HE2' ' A' ' 48' ' ' PHE . 51.3 t -71.92 -23.94 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.515 ' ND2' HG12 ' A' ' 14' ' ' VAL . 4.6 m-80 -80.14 -59.9 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 179.66 105.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -96.26 -58.92 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.544 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 70.9 mt -77.04 -61.0 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.08 127.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.61 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 24' ' ' MET . 0.4 OUTLIER -74.1 -70.58 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.967 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.431 ' CB ' ' O ' ' A' ' 23' ' ' SER . 0.2 OUTLIER 76.22 168.86 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 t -105.1 130.0 53.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.22 -179.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.1 ptp -120.8 69.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -126.77 149.11 67.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.947 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.96 40.71 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 112.44 3.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 173.37 46.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.348 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.93 169.08 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' ALA . 3.5 mt -105.16 77.78 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.3 m80 66.99 -73.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.589 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . 64.55 105.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.9 tp -166.45 -99.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.95 34.85 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.86 -74.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.24 -8.82 34.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.778 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -77.4 -73.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.19 53.68 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.59 78.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 169.19 166.19 27.82 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 53.32 3.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 46' ' ' ILE . 12.7 pt-20 -139.49 -45.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.778 HD12 ' O ' ' A' ' 40' ' ' LYS . 2.6 mt -94.57 129.91 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.425 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 52.0 m -94.82 140.58 29.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.618 ' HE2' HG21 ' A' ' 17' ' ' VAL . 1.4 m-85 -114.6 124.18 51.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CD1' HG12 ' A' ' 5' ' ' ILE . 16.1 m-90 -96.3 123.12 39.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.014 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -104.62 -176.13 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 110.045 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.663 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -173.28 144.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -128.75 127.24 41.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 107.988 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.71 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 4.6 tp10 -132.4 79.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.148 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.61 -133.28 11.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -106.97 21.2 17.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -135.86 137.62 41.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.72 HD11 HG22 ' A' ' 13' ' ' VAL . 3.0 mm? -50.85 107.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.737 ' O ' HG22 ' A' ' 87' ' ' VAL . . . -57.47 -32.83 67.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.464 ' HA3' HG13 ' A' ' 87' ' ' VAL . . . 136.73 175.15 13.64 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.6 p -160.69 149.57 16.76 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.82 177.96 26.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.413 ' HB2' ' CD1' ' A' ' 48' ' ' PHE . . . -148.9 170.12 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.745 ' O ' HD12 ' A' ' 63' ' ' LEU . 4.1 pp -157.59 125.88 5.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -92.13 151.9 20.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.02 109.34 18.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.756 HD13 ' HG2' ' A' ' 72' ' ' GLU . 1.0 OUTLIER -89.24 -76.97 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.9 -176.54 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -75.21 -23.64 57.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' O ' ' CD1' ' A' ' 104' ' ' TYR . 4.8 mtt180 -116.93 -36.56 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -89.07 154.14 20.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.643 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.34 -169.91 15.73 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.756 ' HG2' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -151.69 148.87 28.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 0.791 . . . . 0.0 110.324 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.661 HD11 HD22 ' A' ' 107' ' ' LEU . 3.4 mp -122.44 119.7 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.12 164.26 21.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.553 ' O ' ' CB ' ' A' ' 76' ' ' MET . 0.1 OUTLIER 73.93 165.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.553 ' CB ' ' O ' ' A' ' 75' ' ' SER . 6.1 tmm? 84.82 123.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -150.32 147.87 28.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.4 m -71.51 145.43 49.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.6 m -90.11 -174.06 4.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.69 176.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.33 47.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -147.9 55.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.596 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.537 HD21 HG23 ' A' ' 87' ' ' VAL . 7.7 tt -133.27 157.14 46.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -102.41 131.77 48.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.52 158.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.03 118.11 4.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 58' ' ' ALA . 2.2 t -75.07 -61.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 92' ' ' LEU . . . -59.58 -32.44 70.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -62.72 -32.76 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.49 -54.26 12.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.517 HG11 ' HG3' ' A' ' 76' ' ' MET . 63.7 t -66.11 -49.5 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 44.8 tp -46.58 -44.17 17.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -48.99 79.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.713 ' CG ' HG21 ' A' ' 3' ' ' ILE . 12.5 t60 -67.62 -33.41 74.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.433 HG21 HG21 ' A' ' 73' ' ' ILE . 20.0 mm -60.65 -51.06 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.516 HD12 ' CE1' ' A' ' 127' ' ' PHE . 92.2 mt -67.01 -33.33 62.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -43.96 74.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -55.18 -49.56 71.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.482 ' HB2' HD21 ' A' ' 107' ' ' LEU . . . -66.19 -32.39 73.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -33.43 75.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -68.4 -52.93 27.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -39.44 91.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.03 61.54 1.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.418 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 4.3 m-85 -82.8 -178.72 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -93.77 -39.71 10.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -163.21 161.02 24.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.661 HD22 HD11 ' A' ' 73' ' ' ILE . 13.4 mt -109.31 126.31 53.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.478 ' O ' HD12 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -116.72 143.77 45.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.597 ' O ' ' CE1' ' A' ' 146' ' ' PHE . 1.1 pp -160.64 145.77 14.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -79.02 127.37 31.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.434 HG21 ' HB2' ' A' ' 147' ' ' MET . 1.4 t -162.56 64.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.376 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -43.08 -94.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 m -177.72 36.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.51 144.77 41.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.43 -27.02 22.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.3 m -65.58 -41.11 93.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.982 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -121.82 35.58 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.501 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.3 mt-10 -65.36 -51.4 52.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -74.98 -20.93 16.42 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.561 1.821 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.79 -51.01 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.51 ' HA ' ' CD1' ' A' ' 124' ' ' TYR . 22.2 ptt180 -67.02 -32.73 74.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 119' ' ' PRO . 0.8 OUTLIER -71.84 -25.6 62.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.502 ' C ' HD23 ' A' ' 123' ' ' LEU . 3.2 tt -78.14 -26.93 48.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.51 ' CD1' ' HA ' ' A' ' 121' ' ' ARG . 15.7 m-30 -74.38 -52.74 11.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.478 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.0 OUTLIER -55.65 -33.46 64.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -14.69 63.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.516 ' CE1' HD12 ' A' ' 96' ' ' ILE . 2.0 t80 -98.14 -17.27 19.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 134.71 -34.15 2.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 0.5 OUTLIER -35.33 143.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -120.72 153.97 36.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.641 ' CZ ' ' CE ' ' A' ' 147' ' ' MET . 66.6 m-85 -96.05 127.41 42.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.0 p 175.38 155.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 55.67 102.6 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.346 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 146' ' ' PHE . 18.4 Cg_endo -74.97 61.5 5.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 146' ' ' PHE . 0.9 OUTLIER -63.43 -159.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 135' ' ' PHE . . . 71.31 158.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' ALA . 0.0 OUTLIER -37.69 -49.59 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.456 ' CD2' ' C ' ' A' ' 138' ' ' TYR . 8.0 p90 -79.46 146.48 32.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -113.8 -151.62 10.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -46.94 163.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.56 165.71 0.53 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.48 18.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 143' ' ' ASN . 5.6 t30 -148.4 78.67 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.69 129.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.93 154.24 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 109' ' ' LEU . 62.5 t80 -109.13 167.32 10.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.641 ' CE ' ' CZ ' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -134.87 135.38 41.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 4.3 t -139.28 138.08 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -111.45 149.97 30.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -113.56 121.35 43.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 46.1 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.471 ' CB ' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.557 0.218 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.98 119.39 31.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.566 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.493 HG21 ' CG ' ' A' ' 94' ' ' HIS . 1.1 mt -90.84 132.93 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.59 178.03 8.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.538 HG13 ' CD1' ' A' ' 49' ' ' TRP . 3.0 mt -88.69 140.81 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -138.78 122.23 17.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -117.76 114.3 23.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 71.78 -69.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -39.88 104.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.96 104.97 1.66 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -56.79 4.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -59.06 -25.61 63.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 t -73.8 -46.38 47.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -73.11 -47.1 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.3 -39.03 56.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' C ' HD13 ' A' ' 16' ' ' LEU . 3.4 tm? -63.83 -43.38 96.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.739 HG11 ' CZ ' ' A' ' 48' ' ' PHE . 69.5 t -69.54 -26.71 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -69.2 -12.87 62.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 54.86 89.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -87.01 -55.85 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mp -53.35 -47.54 69.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 23' ' ' SER . 1.7 t-80 -67.96 139.76 56.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.557 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 96.3 p -92.72 138.63 31.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.959 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.15 100.54 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 m -126.02 -62.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.45 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mt 71.45 -72.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptm -173.44 52.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.3 p -171.35 128.79 0.69 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.05 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 171.16 18.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.74 2.99 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.511 1.795 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 178.96 145.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.65 41.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.0 mm -118.88 -4.1 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.424 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 54.7 t-80 -130.86 -63.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.637 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . 67.64 107.54 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 tp -47.44 -56.99 5.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.23 70.86 0.26 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mp -42.06 -88.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 43.95 59.22 3.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -159.02 -63.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.425 HD23 ' CE2' ' A' ' 48' ' ' PHE . 8.0 mp -98.58 52.13 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -172.53 104.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 177.71 162.15 27.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 53.39 3.32 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 175.31 39.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 64' ' ' LYS . 10.6 mm -118.66 131.6 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.599 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 46.1 m -117.78 139.1 51.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.739 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -119.58 128.35 53.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.599 ' CH2' ' HB ' ' A' ' 47' ' ' THR . 16.7 m-90 -103.35 166.54 10.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 107.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.419 ' CA ' ' SG ' ' A' ' 60' ' ' CYS . 22.8 p -142.19 143.14 32.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.15 134.05 55.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.471 ' O ' ' CB ' ' A' ' 1' ' ' MET . 6.1 m95 -124.26 139.01 54.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.56 ' OE2' HD21 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -153.63 75.88 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.67 -129.68 5.26 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.17 -1.5 15.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -131.35 160.3 35.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.918 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -64.02 130.95 46.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.641 ' HB1' HG22 ' A' ' 87' ' ' VAL . . . -78.92 -37.52 39.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.535 ' N ' HD22 ' A' ' 57' ' ' LEU . . . 130.4 -156.97 21.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' CA ' ' A' ' 50' ' ' SER . 0.0 OUTLIER 170.19 -161.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.55 -137.0 2.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.97 158.96 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 49' ' ' TRP . 2.1 tt -164.35 114.91 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 4.5 tttt -121.64 142.15 50.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -74.75 141.33 44.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.744 HD13 ' HG2' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -115.85 -68.03 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.96 -158.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.3 p -79.58 -47.88 14.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 105' ' ' GLU . 31.9 ptt180 -127.97 32.62 4.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -147.14 126.41 13.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.78 -167.47 11.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.744 ' HG2' HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -148.15 152.4 37.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.784 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.752 HD11 HD22 ' A' ' 107' ' ' LEU . 2.4 mp -117.58 146.18 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -156.74 147.08 21.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.7 OUTLIER 82.85 117.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.983 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.408 ' CE ' HD23 ' A' ' 92' ' ' LEU . 10.9 ttt -160.32 111.07 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 110.962 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.414 ' NH2' ' HB2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -117.16 134.49 54.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 83.3 m -56.73 -107.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.407 ' HB3' HD13 ' A' ' 83' ' ' LEU . 0.6 OUTLIER 171.63 125.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 40.4 40.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.64 -70.84 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -124.86 137.56 54.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.6 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.809 HD22 HG23 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -142.59 160.14 40.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.665 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -90.73 158.97 16.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.344 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 84' ' ' ARG . 0.4 OUTLIER 82.45 -66.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 127.21 101.71 1.16 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.809 HG23 HD22 ' A' ' 83' ' ' LEU . 2.2 t -74.92 -59.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.62 -31.16 24.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -65.67 -34.27 77.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.421 ' NE2' ' HB3' ' A' ' 53' ' ' GLU . 0.3 OUTLIER -71.71 -48.01 50.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.1 t -57.2 -49.11 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.671 HD21 ' CE1' ' A' ' 124' ' ' TYR . 0.2 OUTLIER -55.48 -50.04 70.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -38.09 79.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.493 ' CG ' HG21 ' A' ' 3' ' ' ILE . 2.9 t60 -73.99 -32.61 63.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -44.2 98.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 45.0 mt -70.4 -40.72 77.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.86 -44.42 73.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.518 ' HG3' ' CE2' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -57.75 -50.57 72.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.349 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.4 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . . . -65.84 -31.52 72.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.77 -32.85 74.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.59 -53.02 31.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -41.31 77.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.75 69.55 1.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' A' ' 99' ' ' ALA . 49.5 m-85 -87.96 154.66 20.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 0.721 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -63.86 -44.48 92.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 149' ' ' LYS . 0.0 OUTLIER -161.45 160.27 29.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 73' ' ' ILE . 9.0 mt -108.18 121.51 45.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.7 p -101.02 168.5 9.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.607 HD22 ' CZ ' ' A' ' 124' ' ' TYR . 0.9 OUTLIER -161.12 178.35 9.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.511 ' HA ' ' HB2' ' A' ' 136' ' ' ALA . 8.3 mt-10 -104.63 113.8 27.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.4 131.57 9.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.84 45.12 0.66 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.547 ' N ' HG22 ' A' ' 145' ' ' VAL . 90.8 p 50.98 51.13 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.541 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -100.82 136.28 40.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.56 -29.02 35.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.6 t -72.23 -31.63 66.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -124.24 40.98 3.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 1.1 tt0 -70.76 -51.0 12.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 118' ' ' GLU . 18.4 Cg_endo -74.98 -19.94 17.39 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.515 ' O ' ' CD2' ' A' ' 124' ' ' TYR . . . -60.74 -51.16 70.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 118' ' ' GLU . 3.4 ptm180 -63.05 -33.83 76.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -71.81 -36.82 70.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.8 tp -75.51 -35.48 60.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.671 ' CE1' HD21 ' A' ' 92' ' ' LEU . 10.8 m-85 -67.71 -52.0 42.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.472 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 0.3 OUTLIER -61.17 -30.65 70.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.9 t -70.82 -12.71 61.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -95.29 -14.41 23.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.16 -35.13 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 149' ' ' LYS . 24.6 m-85 -40.15 139.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.99 148.81 50.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.468 ' CE1' ' HB ' ' A' ' 145' ' ' VAL . 7.6 m-85 -60.39 144.44 50.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.9 -176.06 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -39.21 158.68 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.469 ' HA ' ' CG ' ' A' ' 146' ' ' PHE . 18.1 Cg_endo -75.04 175.57 11.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 136' ' ' ALA . 5.2 m-85 -159.28 -41.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.511 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . . . -50.98 -178.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.37 33.55 0.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.404 ' O ' ' O ' ' A' ' 139' ' ' GLY . 0.9 OUTLIER -111.75 13.86 21.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . 37.84 -157.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -80.07 159.72 26.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 176.34 136.02 0.19 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.29 21.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -113.5 56.48 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.7 m -167.15 149.1 5.97 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.467 1.104 . . . . 0.0 109.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.547 HG22 ' N ' ' A' ' 113' ' ' SER . 9.1 m -114.48 165.77 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.469 ' CG ' ' HA ' ' A' ' 134' ' ' PRO . 83.5 m-85 -159.66 137.54 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 125' ' ' GLU . 0.9 OUTLIER -140.35 146.07 37.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 12.4 t -121.39 154.66 36.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 31.6 tptt -101.3 142.49 32.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -100.33 116.53 32.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.469 0.176 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 109.19 18.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.615 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.95 HG21 ' CG ' ' A' ' 94' ' ' HIS . 34.3 mm -118.82 137.01 54.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -145.26 174.4 11.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.2 mt -105.84 127.24 61.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -116.37 131.09 57.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.89 100.87 7.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 57.62 174.69 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 64.29 151.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.21 102.43 2.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -55.69 31.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -55.25 -34.03 63.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 17' ' ' VAL . 97.1 t -74.86 -45.31 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.08 -52.84 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -50.69 -50.17 55.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.957 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.36 -47.25 82.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 13' ' ' VAL . 24.9 t -55.96 -34.78 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -73.39 -43.97 59.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 61.6 125.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -95.94 -34.2 11.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' A' ' 80' ' ' ALA . 2.7 mp -54.66 -56.5 18.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -114.62 74.4 0.87 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.578 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.9 p -69.48 87.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 175.24 131.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -116.57 127.49 54.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.419 ' O ' ' CG ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -117.04 173.63 6.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -177.57 168.57 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -41.71 159.4 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 114.73 4.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.527 1.804 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.9 13.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -138.62 -154.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.5 m 53.37 172.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -85.08 109.47 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 34' ' ' HIS . 25.5 p-80 49.31 93.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.618 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -171.02 128.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 36' ' ' LEU . 6.6 tp -119.31 -142.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.17 42.09 1.07 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.05 -30.99 28.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -93.28 56.02 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -131.9 -75.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.528 HD13 HG21 ' A' ' 46' ' ' ILE . 2.2 mm? -55.69 -36.93 67.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -95.12 55.82 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.29 177.32 31.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.54 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -46.22 -43.35 15.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.528 HG21 HD13 ' A' ' 41' ' ' LEU . 5.0 mt -105.81 154.67 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.499 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 32.5 m -130.85 139.25 50.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CZ ' ' O ' ' A' ' 61' ' ' GLY . 2.2 t80 -111.96 118.05 34.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.73 ' CH2' HD22 ' A' ' 63' ' ' LEU . 21.1 m-90 -93.08 138.73 31.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 107.985 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.5 m -139.16 131.94 29.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.814 ' C ' ' HB3' ' A' ' 58' ' ' ALA . . . -94.1 140.58 29.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.459 ' N ' ' HB3' ' A' ' 58' ' ' ALA . 21.0 m95 -124.48 123.59 40.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 107.987 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.668 ' N ' ' HB2' ' A' ' 58' ' ' ALA . 1.1 tp10 -137.04 76.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.07 -127.76 7.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.25 15.45 19.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.83 170.36 16.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.506 HD11 ' HA ' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -61.72 145.0 53.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.814 ' HB3' ' C ' ' A' ' 51' ' ' ALA . . . -112.92 -19.32 11.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.632 ' HA2' HG13 ' A' ' 87' ' ' VAL . . . 172.91 136.09 2.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.2 p -133.65 155.62 49.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.562 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . . . 172.26 -164.55 37.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 73' ' ' ILE . . . -143.2 162.73 34.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.73 HD22 ' CH2' ' A' ' 49' ' ' TRP . 1.9 tt -160.92 117.38 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' N ' ' HZ1' ' A' ' 74' ' ' LYS . 3.3 tttt -121.51 142.61 49.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 143.39 56.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 66' ' ' LEU . 2.8 mt -119.75 -63.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -137.97 179.47 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 t -52.27 -33.56 42.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -141.95 44.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -139.88 138.89 36.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.572 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -141.61 161.41 27.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' HB3' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -150.85 151.97 33.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 110.347 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 62' ' ' ALA . 3.2 mp -122.65 143.32 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.455 ' HZ1' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -138.0 46.88 2.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.6 t -171.06 104.81 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.95 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.459 ' CE ' ' HB1' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -136.32 105.45 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -114.27 134.39 54.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.6 m -153.89 152.38 30.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.448 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.6 t 59.93 61.96 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.951 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.453 ' HA ' HD11 ' A' ' 21' ' ' LEU . . . -87.04 81.42 8.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.08 -59.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 174.44 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.561 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 84' ' ' ARG . 19.3 tp -132.32 157.4 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.413 ' N ' ' HG ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -91.13 158.99 16.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.0 mptt 67.99 -177.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' A' ' 90' ' ' GLN . . . -105.71 127.78 9.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.632 HG13 ' HA2' ' A' ' 59' ' ' GLY . 53.0 t -74.77 -61.05 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.459 ' HB1' ' CE ' ' A' ' 76' ' ' MET . . . -69.46 -30.21 68.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -48.35 71.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.529 HE21 ' HB1' ' A' ' 58' ' ' ALA . 7.1 mm100 -56.7 -42.21 78.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.4 t -75.34 -53.39 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.722 HD23 ' CD1' ' A' ' 127' ' ' PHE . 31.7 tp -47.55 -46.74 28.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -46.54 72.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.95 ' CG ' HG21 ' A' ' 3' ' ' ILE . 81.0 t60 -69.4 -41.22 76.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.542 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.676 HG23 HD12 ' A' ' 63' ' ' LEU . 13.8 mt -58.97 -47.65 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.64 HG21 ' HE3' ' A' ' 149' ' ' LYS . 53.4 mt -63.93 -34.36 67.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -38.14 72.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -62.64 -47.12 85.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.418 ' HA ' ' CD1' ' A' ' 104' ' ' TYR . . . -70.74 -31.39 68.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.2 -44.61 97.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.167 . . . . 0.0 110.335 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -52.31 65.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.06 -35.92 82.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.6 60.78 2.04 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 12.1 m-85 -69.2 -173.42 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 111.035 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.89 -42.67 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.19 160.67 24.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.713 ' HB2' HD11 ' A' ' 151' ' ' LEU . 5.5 tp -117.99 121.8 41.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.4 ' O ' HD12 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -109.04 168.6 9.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.609 ' O ' ' CE1' ' A' ' 146' ' ' PHE . 1.6 pp -168.27 174.73 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -96.79 134.7 39.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.569 ' HA ' ' CD1' ' A' ' 117' ' ' PHE . 5.9 t -173.67 135.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.452 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 145' ' ' VAL . . . -124.46 -134.2 4.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.2 p -128.09 31.13 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.571 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -89.68 175.63 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.64 -27.37 58.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.2 t -77.14 -30.58 55.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.569 ' CD1' ' HA ' ' A' ' 111' ' ' THR . 13.9 m-85 -96.64 -28.4 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.48 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.2 OUTLIER -38.81 -55.94 2.56 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 118' ' ' GLU . 18.3 Cg_endo -75.0 -35.81 2.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.554 ' HB3' ' HA ' ' A' ' 117' ' ' PHE . . . -56.87 -49.42 75.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.547 ' HA ' ' CD2' ' A' ' 124' ' ' TYR . 5.0 ttp-105 -65.29 -33.47 76.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -27.41 65.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -28.07 62.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.574 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 23.0 m-30 -75.55 -53.34 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.54 ' HB3' ' CE ' ' A' ' 147' ' ' MET . 1.9 pp20? -54.33 -27.7 37.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.03 -17.25 47.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.722 ' CD1' HD23 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -99.26 -17.68 17.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.473 ' O ' ' CG ' ' A' ' 149' ' ' LYS . . . 113.34 66.66 0.48 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 149' ' ' LYS . 9.9 m-85 -133.51 125.71 29.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -97.72 153.85 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 146' ' ' PHE . 22.0 m-85 -72.63 142.08 48.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.45 -171.05 3.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.331 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -69.68 159.83 82.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.97 7.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.799 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.574 ' HB2' ' CE1' ' A' ' 146' ' ' PHE . 0.2 OUTLIER -108.64 -40.64 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -43.39 161.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -41.8 -43.81 3.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -50.18 125.54 12.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -89.64 170.78 37.15 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -43.5 161.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.435 ' CB ' ' CD ' ' A' ' 142' ' ' PRO . 0.2 OUTLIER 179.65 174.46 0.43 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 141' ' ' ASP . 18.3 Cg_endo -75.02 1.99 7.14 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -155.53 79.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.23 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 33.6 p -141.45 142.28 33.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 112' ' ' GLY . 14.0 m -146.27 172.18 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.609 ' CE1' ' O ' ' A' ' 109' ' ' LEU . 47.8 t80 -161.78 167.42 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.586 ' O ' ' CE2' ' A' ' 146' ' ' PHE . 3.2 mmt -136.21 146.71 47.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.1 t -139.33 135.64 33.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.64 ' HE3' HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -108.02 130.75 55.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.77 121.76 36.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 107' ' ' LEU . 1.7 mp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mtt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.515 0.198 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 52' ' ' TRP . 42.8 m-70 -60.48 108.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.6 HD13 ' CB ' ' A' ' 51' ' ' ALA . 5.2 mm -119.49 136.94 55.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -143.94 174.57 10.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 48' ' ' PHE . 6.6 mt -105.73 135.94 41.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -106.5 128.72 54.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -125.03 100.92 6.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mp 56.07 167.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 10' ' ' GLY . 0.4 OUTLIER 71.1 170.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.478 ' N ' HG23 ' A' ' 9' ' ' THR . . . 95.65 109.29 2.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -72.95 -56.33 5.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.507 ' O ' HD13 ' A' ' 16' ' ' LEU . 12.4 mp0 -63.4 -29.56 70.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.556 HG22 HD11 ' A' ' 57' ' ' LEU . 50.6 t -74.54 -40.69 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -74.41 -47.11 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.19 -35.48 49.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.649 HD11 ' HA ' ' A' ' 79' ' ' SER . 3.4 mp -67.18 -36.44 81.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.414 HG13 ' OG ' ' A' ' 75' ' ' SER . 71.8 t -72.8 -46.85 51.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -56.02 -36.85 68.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.32 107.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -96.57 -35.09 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.584 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.42 -59.29 5.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -144.65 143.63 30.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.623 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 p -175.51 -57.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 70.27 -67.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.4 t -173.25 148.92 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.424 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.66 45.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -162.48 168.94 21.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 p -123.59 100.24 38.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.15 4.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -167.79 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.39 89.57 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.88 155.28 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.047 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.647 HG23 ' N ' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -59.67 -166.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.647 ' N ' HG23 ' A' ' 33' ' ' ILE . 2.7 m80 -40.76 97.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.59 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 33' ' ' ILE . . . -179.69 124.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.815 HD13 ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -112.7 -32.27 6.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.688 ' H ' HD22 ' A' ' 36' ' ' LEU . . . 83.52 74.36 1.22 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.568 ' H ' HD22 ' A' ' 38' ' ' LEU . 2.9 mm? -38.46 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 40.85 65.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.772 ' O ' HD12 ' A' ' 46' ' ' ILE . 7.9 tttt -174.92 -78.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.27 39.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -158.66 75.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 176.38 -177.24 47.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -42.46 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -46.8 -29.89 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.772 HD12 ' O ' ' A' ' 40' ' ' LYS . 3.1 mt -113.97 136.45 50.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.47 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 87.8 m -114.42 136.04 53.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.654 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -117.3 130.3 56.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.003 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.573 ' CD1' HG12 ' A' ' 5' ' ' ILE . 17.6 m-90 -104.38 141.15 36.85 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.7 m -134.22 125.68 28.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.6 ' CB ' HD13 ' A' ' 3' ' ' ILE . . . -91.9 130.73 37.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.407 ' CH2' HG21 ' A' ' 13' ' ' VAL . 2.1 m95 -125.14 136.31 53.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 107.955 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 2.1 tp10 -146.16 76.54 1.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.25 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.86 -126.18 7.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.42 8.08 21.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.279 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -127.47 159.98 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.556 HD11 HG22 ' A' ' 13' ' ' VAL . 3.9 mm? -69.47 124.37 23.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HB1' ' NE2' ' A' ' 90' ' ' GLN . . . -88.38 6.89 35.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.715 ' HA2' HG22 ' A' ' 87' ' ' VAL . . . 135.07 159.81 8.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.714 ' C ' HG21 ' A' ' 91' ' ' VAL . 26.5 p -145.99 158.59 43.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.71 ' HA3' HG11 ' A' ' 91' ' ' VAL . . . 170.63 -179.11 42.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.654 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . . . -155.0 175.75 13.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.566 ' HG ' ' CZ3' ' A' ' 49' ' ' TRP . 1.5 pp -157.79 114.79 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -90.25 141.73 28.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -62.38 152.89 32.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.441 HD12 ' HG2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -134.58 -68.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.461 ' HB2' ' CB ' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -133.23 179.62 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.7 p -60.05 -30.05 68.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -136.3 40.14 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 67' ' ' ASP . 2.4 t-160 -147.43 140.25 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.542 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -145.81 170.08 27.12 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' C ' HD13 ' A' ' 73' ' ' ILE . 16.1 pt-20 -134.31 176.79 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.46 HG12 ' CB ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -114.54 113.47 43.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.594 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 3.2 mmpt? -104.67 117.58 34.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.414 ' OG ' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER 65.35 129.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.869 ' HE2' ' HB1' ' A' ' 88' ' ' ALA . 4.5 ttt -172.64 103.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.423 ' O ' HG11 ' A' ' 87' ' ' VAL . 1.8 mpt_? -147.19 159.13 43.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.492 ' HA ' HG11 ' A' ' 87' ' ' VAL . 59.1 m -93.27 148.08 22.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.649 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -42.09 -53.12 4.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.038 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -168.78 34.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.94 33.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -140.48 40.7 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 85' ' ' LYS . 7.3 tt -127.33 156.66 41.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.95 97.09 5.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.424 ' HB2' HD21 ' A' ' 83' ' ' LEU . 0.0 OUTLIER 177.94 -54.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.0 90.81 1.64 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.715 HG22 ' HA2' ' A' ' 59' ' ' GLY . 1.9 t -67.45 -61.22 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.869 ' HB1' ' HE2' ' A' ' 76' ' ' MET . . . -65.21 -32.1 73.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.837 ' HG3' HD21 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -64.75 -47.78 76.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.435 ' NE2' ' HB1' ' A' ' 58' ' ' ALA . 3.8 mm-40 -60.46 -48.65 80.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.714 HG21 ' C ' ' A' ' 60' ' ' CYS . 78.0 t -64.79 -55.22 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.733 HD23 ' CG ' ' A' ' 127' ' ' PHE . 12.2 tp -47.48 -41.99 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -49.03 71.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.594 ' CG ' HG21 ' A' ' 3' ' ' ILE . 3.0 t-160 -67.46 -40.3 85.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.576 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 mt -57.19 -47.77 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.661 HD12 ' CE1' ' A' ' 127' ' ' PHE . 67.4 mt -67.64 -36.12 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -45.23 80.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.29 -47.08 82.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 104' ' ' TYR . . . -69.81 -33.58 72.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.94 -33.7 74.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.04 -50.85 25.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -37.5 85.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.86 67.23 1.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 14.3 m-85 -79.47 -176.79 5.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 0.795 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -114.16 -31.0 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.98 156.59 19.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.65 118.16 25.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.538 ' OG ' ' CD2' ' A' ' 135' ' ' PHE . 9.5 m -100.82 169.28 9.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.779 HD11 HG22 ' A' ' 111' ' ' THR . 0.4 OUTLIER -164.35 169.89 16.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 4.2 pt-20 -100.68 102.91 14.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.779 HG22 HD11 ' A' ' 109' ' ' LEU . 68.1 p -102.08 -133.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.847 ' O ' HG22 ' A' ' 145' ' ' VAL . . . 135.01 -170.04 23.03 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.464 1.103 . . . . 0.0 110.96 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.1 t -114.91 51.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.976 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.563 ' HB2' ' CD2' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -98.13 172.76 7.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.506 ' O ' ' CD ' ' A' ' 119' ' ' PRO . . . -75.78 -39.51 56.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.8 t -77.85 -16.81 58.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 114' ' ' MET . 6.2 m-85 -99.68 -39.26 8.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.509 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.3 OUTLIER -37.49 -57.39 1.48 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 118' ' ' GLU . 18.2 Cg_endo -74.97 -27.84 9.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.548 1.815 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 117' ' ' PHE . . . -56.07 -51.64 67.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 122' ' ' LYS . 14.0 ptt180 -59.7 -32.48 70.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.451 ' N ' ' HG2' ' A' ' 121' ' ' ARG . 0.3 OUTLIER -67.14 -28.39 68.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.837 HD21 ' HG3' ' A' ' 89' ' ' LYS . 0.5 OUTLIER -73.16 -42.66 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.567 ' HE2' HD13 ' A' ' 92' ' ' LEU . 7.5 m-85 -63.18 -51.41 66.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.491 ' HG2' ' CE ' ' A' ' 147' ' ' MET . 28.5 mt-10 -50.5 -38.98 47.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.4 t -62.02 -13.22 23.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.039 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.733 ' CG ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -98.36 -17.65 18.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 129' ' ' PHE . . . 127.4 -22.82 5.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.684 ' HE1' HD21 ' A' ' 92' ' ' LEU . 12.6 m-85 -36.13 152.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -132.1 162.92 29.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.402 ' O ' ' SG ' ' A' ' 132' ' ' CYS . 0.6 OUTLIER -88.15 145.26 26.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 131' ' ' TYR . 0.9 OUTLIER 177.85 175.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 108.256 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -41.78 151.33 0.32 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.569 ' HG3' ' CE1' ' A' ' 146' ' ' PHE . 18.3 Cg_endo -75.0 -166.0 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.472 1.775 . . . . 0.0 110.95 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 134' ' ' PRO . 35.2 m-85 -169.5 -39.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.472 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . . . -38.47 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -173.31 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -68.87 126.78 30.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -103.91 -149.55 20.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.5 161.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.76 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 179.37 158.63 0.72 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -16.35 20.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -152.65 78.78 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.18 133.18 3.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.847 HG22 ' O ' ' A' ' 112' ' ' GLY . 12.5 m -107.06 169.98 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 134' ' ' PRO . 13.5 m-85 -140.12 131.83 27.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 111.073 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.767 ' HB3' HG21 ' A' ' 111' ' ' THR . 1.3 ttm -123.54 148.06 46.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.46 156.99 47.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 129' ' ' PHE . 7.9 tmtm? -116.56 137.7 51.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.25 124.39 51.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.997 . . . . . . . . 0 0 . 1 stop_ save_