data_1x9x_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 1x9x _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.488 0.185 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.527 ' CG2' HD12 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -59.72 -21.4 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.476 ' CG ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -61.17 -33.67 73.8 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.404 1.065 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.55 -39.02 74.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.236 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.546 ' CD2' HD12 ' A' ' 14' ' ' LEU . 20.8 t80 -79.48 -43.0 24.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.645 ' CD2' ' CD2' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -64.48 -27.01 68.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 5.5 mt-10 -76.84 -25.3 53.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.522 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.19 -25.8 39.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.566 1.166 . . . . 0.0 110.247 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.522 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 15.2 pt -98.12 -11.44 8.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.71 67.62 1.48 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.128 . . . . 0.0 111.085 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.624 ' HB3' ' CG ' ' A' ' 22' ' ' TYR . 30.2 m -137.49 39.67 2.44 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 m -59.31 -23.85 62.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.563 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -101.38 31.46 3.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.665 ' CE2' HG13 ' A' ' 50' ' ' VAL . 16.6 m-85 -129.68 7.71 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.068 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -66.6 -66.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.99 -17.48 57.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.418 1.074 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.492 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -83.58 -47.78 10.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.35 1.031 . . . . 0.0 110.082 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.645 ' CD2' ' CD2' ' A' ' 14' ' ' LEU . 2.9 m-85 -67.77 -41.6 83.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.469 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 20.6 mt -62.37 -23.64 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -74.55 -45.82 43.02 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.701 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 28.8 t -82.89 -27.79 30.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 108.263 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.701 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 13.1 m-20 100.36 61.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.634 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 1.9 mm? -124.08 32.19 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.241 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.622 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 2.0 m -95.89 19.66 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.082 . . . . 0.0 109.239 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.418 ' OG1' ' HB2' ' A' ' 36' ' ' GLU . 1.1 p -126.34 156.81 39.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.485 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.532 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 24.3 mt-10 -87.35 35.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.23 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 10.5 pt-20 -147.43 -44.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 11.4 mm-40 -51.98 -44.33 63.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.7 HD13 ' CZ ' ' A' ' 66' ' ' PHE . 1.4 pt -75.71 -18.38 15.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HB2' ' CB ' ' A' ' 66' ' ' PHE . 6.6 ttpp -72.15 -17.15 61.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -130.25 41.7 3.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.639 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -118.33 164.66 14.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.539 ' HB3' ' CD2' ' B' ' 143' ' ' LEU . 0.0 OUTLIER -117.28 176.36 5.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.573 ' HG2' ' HG3' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -72.93 -37.86 67.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.784 ' HA ' ' CG2' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -63.1 -28.23 69.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -37.18 66.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.527 HD22 ' NH1' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -72.99 -54.15 9.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.072 . . . . 0.0 109.365 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.784 ' CG2' ' HA ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -53.38 -37.4 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.45 -27.14 56.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.611 ' CD2' ' CG1' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -61.9 -27.97 69.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.1 21.67 1.06 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.556 1.16 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.665 HG13 ' CE2' ' A' ' 22' ' ' TYR . 2.9 m -122.1 72.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.73 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -71.79 -13.63 61.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -48.28 99.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.239 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.455 ' CG2' HD13 ' B' ' 129' ' ' ILE . 37.3 mm -66.85 138.24 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 115.66 -95.21 0.69 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' GLY . 20.8 t70 -37.67 -31.18 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 0.797 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.527 ' NH1' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -49.55 -42.22 43.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.427 1.079 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.532 ' CA ' ' CG ' ' B' ' 126' ' ' ASP . 6.7 tt -63.62 -38.54 91.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 0.0 109.323 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -55.07 39.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.59 1.181 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.512 ' CG2' HD12 ' A' ' 45' ' ' LEU . 3.3 mt -54.9 -36.55 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.12 . . . . 0.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.509 ' CD2' ' HB3' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -61.12 -37.18 81.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -51.89 11.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 65' ' ' SER . 7.2 mmtt -61.26 -34.07 74.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 m -51.73 -36.39 46.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -76.85 -18.2 58.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 10.5 t -49.41 -17.23 0.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.459 1.099 . . . . 0.0 109.923 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.7 ' CZ ' HD13 ' A' ' 37' ' ' ILE . 86.8 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -62.24 -41.59 98.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.51 ' O ' ' CG ' ' B' ' 98' ' ' GLU . 1.0 OUTLIER -68.26 -23.4 64.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' B' ' 145' ' ' LYS . 3.2 t80 -84.92 -43.2 14.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.553 ' HA ' ' CG1' ' B' ' 100' ' ' ILE . 72.8 mt -65.64 -26.34 67.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' B' ' 95' ' ' LEU . 0.9 OUTLIER -64.59 -32.84 74.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 2.3 tt0 -80.0 -33.72 39.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.339 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.553 ' CG1' ' HA ' ' B' ' 97' ' ' LEU . 9.3 pt -97.42 24.21 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.215 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' B' ' 100' ' ' ILE . . . 32.08 76.89 0.03 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . 0.585 ' HB3' ' CD1' ' B' ' 105' ' ' TYR . 67.4 m -142.12 45.54 1.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 23.0 m -60.8 -19.34 59.36 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.6 1.188 . . . . 0.0 110.34 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . 0.605 ' HG3' ' CE1' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -96.09 24.12 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.321 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.697 ' CE2' HG13 ' B' ' 133' ' ' VAL . 31.1 m-85 -128.29 20.6 6.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.446 ' O ' HG13 ' B' ' 110' ' ' ILE . 9.4 mp -79.81 -67.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.27 -17.32 63.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.168 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' SER . . . . . 0.429 ' C ' HD13 ' B' ' 131' ' ' LEU . 5.5 p -81.87 -39.08 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.711 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 2.9 m-85 -76.73 -38.3 54.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.487 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 80.2 mt -61.76 -24.23 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 0.0 109.396 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -81.24 -44.02 18.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . 0.676 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 8.2 t -78.59 -28.83 45.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 108.253 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.676 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 6.9 m-20 97.61 65.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.711 ' HB2' ' CD2' ' B' ' 109' ' ' PHE . 92.3 mt -133.3 32.6 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.599 ' CG2' ' O ' ' B' ' 115' ' ' VAL . 2.0 m -94.69 18.48 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 77.7 m -127.26 158.85 36.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.434 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.512 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 29.3 mt-10 -88.57 25.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -136.85 -44.48 0.58 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.25 -42.9 61.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.448 1.093 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.652 HD13 ' CZ ' ' B' ' 149' ' ' PHE . 0.4 OUTLIER -69.02 -30.38 46.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.553 1.158 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . 0.53 ' CB ' ' HB2' ' B' ' 149' ' ' PHE . 0.0 OUTLIER -83.94 -13.07 54.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.38 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' B' ' 118' ' ' GLU . 0.2 OUTLIER -119.33 41.14 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.786 ' CD1' ' C ' ' B' ' 123' ' ' LEU . 0.0 OUTLIER -144.23 -168.8 2.97 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.584 1.178 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' ASP . . . . . 0.522 ' N ' HD12 ' B' ' 123' ' ' LEU . 5.2 m-20 -121.27 -175.03 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.607 ' NZ ' ' HB3' ' B' ' 139' ' ' ARG . 0.0 OUTLIER -93.25 -33.78 13.82 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . 0.553 ' HA ' ' CG2' ' B' ' 129' ' ' ILE . 0.1 OUTLIER -61.28 -16.75 48.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.522 ' CG2' ' CD2' ' B' ' 123' ' ' LEU . 0.2 OUTLIER -76.33 -38.69 33.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.504 ' HA ' ' HB3' ' B' ' 131' ' ' LEU . 1.2 mt -63.35 -53.57 50.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.553 ' CG2' ' HA ' ' B' ' 126' ' ' ASP . 0.0 OUTLIER -52.39 -38.28 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . 0.447 ' N ' HD11 ' B' ' 129' ' ' ILE . . . -79.08 -28.33 43.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . 0.605 ' CD2' ' CG1' ' B' ' 133' ' ' VAL . 0.0 OUTLIER -55.24 -28.04 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.339 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 130.29 22.13 1.12 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.552 1.157 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.697 HG13 ' CE2' ' B' ' 105' ' ' TYR . 3.4 m -119.73 77.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 109.314 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' B' ' 136' ' ' ILE . 8.5 p30 -76.14 -15.73 60.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . 0.551 ' O ' ' CD ' ' B' ' 139' ' ' ARG . 10.9 mtpt -46.9 90.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' B' ' 134' ' ' ASN . 85.0 mt -57.61 134.53 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.433 1.083 . . . . 0.0 109.218 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 137' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' B' ' 140' ' ' LEU . . . 117.36 -94.6 0.63 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' B' ' 137' ' ' GLY . 1.7 m-20 -37.35 -34.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 0.731 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' ARG . . . . . 0.607 ' HB3' ' NZ ' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -49.33 -39.41 31.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.342 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . 0.582 ' O ' ' HB3' ' B' ' 143' ' ' LEU . 3.8 tt -66.91 -35.9 81.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' LYS . . . . . 0.429 ' HE2' ' CA ' ' B' ' 100' ' ' ILE . 0.0 OUTLIER -59.94 -53.38 58.54 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . 0.404 ' O ' ' OG ' ' B' ' 146' ' ' SER . 4.0 mt -55.6 -34.23 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.582 ' HB3' ' O ' ' B' ' 140' ' ' LEU . 0.2 OUTLIER -55.62 -44.82 77.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -76.57 -40.78 48.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' B' ' 148' ' ' SER . 36.1 mmtt -61.89 -40.89 96.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 146' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' B' ' 120' ' ' ILE . 29.7 m -52.74 -34.04 50.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 110.024 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . 0.467 ' C ' ' N ' ' B' ' 149' ' ' PHE . 63.8 mttt -79.32 -16.58 56.13 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 148' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 27.9 t -43.09 -22.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 149' ' ' PHE . . . . . 0.652 ' CZ ' HD13 ' B' ' 120' ' ' ILE . 42.1 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 111.052 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.452 0.167 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -21.1 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 27.6 tt0 -62.48 -38.54 90.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 1.072 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -70.4 -39.61 74.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.234 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 9.8 t80 -74.33 -38.15 63.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.938 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.653 HD23 ' CE2' ' A' ' 26' ' ' PHE . 11.3 mt -67.19 -33.76 76.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 20' ' ' THR . 2.7 mt-10 -72.02 -25.11 61.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.21 -29.47 38.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.588 1.18 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.516 HG21 ' CG ' ' A' ' 62' ' ' LYS . 6.8 pt -96.93 -9.09 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.413 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . 83.96 77.38 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.573 ' HB3' ' CG ' ' A' ' 22' ' ' TYR . 66.1 m -153.8 37.95 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.468 ' CG2' ' HG2' ' A' ' 15' ' ' GLU . 73.3 p -58.33 -24.73 60.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.612 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 5.5 pm0 -101.7 36.11 2.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.612 ' CE1' ' HG2' ' A' ' 21' ' ' GLN . 5.0 m-85 -130.51 4.66 4.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 111.058 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 27' ' ' ILE . 9.2 mp -59.64 -66.85 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.372 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.93 -18.49 60.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.476 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 1.8 m -81.02 -47.97 12.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.031 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.713 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 3.8 m-85 -71.45 -39.92 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.492 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 36.7 mt -63.38 -23.68 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -76.94 -41.49 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.672 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 53.9 t -83.15 -28.63 29.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 108.25 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.672 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 13.0 m-20 98.55 53.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.531 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 1.1 mm? -119.02 33.43 5.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.587 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 2.0 m -94.57 18.89 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.31 159.3 32.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.366 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.585 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 18.9 mt-10 -91.29 34.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.218 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 8.4 mt-10 -148.13 -44.96 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -53.66 -39.94 65.48 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.595 1.185 . . . . 0.0 110.227 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.687 HD13 ' CZ ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -69.02 -28.9 41.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.494 ' CB ' ' HB2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -83.9 -13.45 53.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.05 44.63 1.9 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.543 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -141.87 -169.33 2.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.522 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 28.3 m-20 -115.68 -174.47 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.571 ' CG ' ' HG2' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -82.71 -43.47 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.667 ' CG ' ' HB2' ' B' ' 140' ' ' LEU . 5.6 t70 -64.36 -25.81 68.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.077 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.522 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 1.4 mp -56.65 -40.06 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.713 ' CD2' ' CZ ' ' A' ' 26' ' ' PHE . 1.1 mt -79.41 -49.06 12.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.165 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.563 ' CD1' ' NH2' ' B' ' 139' ' ' ARG . 0.4 OUTLIER -55.64 -38.02 48.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 43' ' ' ASP . . . -78.14 -24.65 47.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.639 ' CD1' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -53.89 -30.32 45.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.455 ' N ' ' CD2' ' A' ' 48' ' ' LEU . . . 147.36 -11.42 1.35 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.357 1.035 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.608 HG11 ' O ' ' A' ' 45' ' ' LEU . 2.3 p -87.3 83.84 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -82.04 -17.78 45.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -51.78 98.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.24 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.545 ' CG2' HD11 ' B' ' 129' ' ' ILE . 30.9 mt -62.2 136.61 25.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 117.99 -94.71 0.61 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.593 1.183 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' GLY . 2.0 m-20 -37.28 -30.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 0.798 . . . . 0.0 109.293 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.55 ' NH2' HG12 ' B' ' 129' ' ' ILE . 6.9 mtp180 -47.85 -50.84 25.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HB2' ' CG ' ' B' ' 126' ' ' ASP . 5.5 tt -50.85 -45.24 59.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -53.9 -53.29 54.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.244 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.46 ' CD1' ' SG ' ' A' ' 19' ' ' CYS . 31.7 mt -55.04 -39.84 51.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -63.63 -33.97 76.8 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.53 -45.52 30.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.516 ' CG ' HG21 ' A' ' 17' ' ' ILE . 17.7 mmtm -61.53 -39.61 91.66 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 51.0 m -51.93 -32.79 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.085 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -76.78 -19.68 57.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 46.9 m -53.22 -16.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.687 ' CZ ' HD13 ' A' ' 37' ' ' ILE . 97.0 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.578 ' CG2' ' O ' ' B' ' 114' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.78 -40.6 97.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.526 ' O ' ' CG ' ' B' ' 98' ' ' GLU . 0.2 OUTLIER -64.85 -25.63 67.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' B' ' 145' ' ' LYS . 6.1 t80 -87.45 -43.14 12.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' B' ' 101' ' ' GLY . 18.3 mt -61.58 -24.58 66.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.239 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -69.72 -31.82 70.03 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 6.9 tp10 -80.58 -27.93 37.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.399 1.062 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.487 ' HB ' ' CD ' ' B' ' 141' ' ' LYS . 0.3 OUTLIER -95.2 -17.89 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.236 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' B' ' 97' ' ' LEU . . . 81.37 66.86 1.57 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . 0.67 ' HB3' ' CG ' ' B' ' 105' ' ' TYR . 61.1 m -143.41 40.71 1.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 3.0 m -58.78 -21.6 56.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . 0.546 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 18.8 pm0 -102.79 34.74 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.67 ' CG ' ' HB3' ' B' ' 102' ' ' CYS . 6.1 m-85 -128.84 3.48 5.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.513 ' O ' HG13 ' B' ' 110' ' ' ILE . 3.8 mm? -63.02 -65.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.226 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.35 -16.85 9.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' SER . . . . . 0.52 ' HB3' ' CD2' ' B' ' 131' ' ' LEU . 0.4 OUTLIER -90.66 -39.83 12.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 110.004 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.739 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 3.4 m-85 -76.27 -37.87 56.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.513 HG13 ' O ' ' B' ' 106' ' ' LEU . 57.0 mt -60.72 -24.76 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.215 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -81.02 -45.52 16.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . 0.688 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 42.2 t -72.49 -27.4 62.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.155 . . . . 0.0 108.257 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.688 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 10.5 m-20 99.46 45.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.739 ' HB2' ' CD2' ' B' ' 109' ' ' PHE . 68.7 mt -116.65 40.36 2.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.64 ' CG2' ' O ' ' B' ' 115' ' ' VAL . 0.5 OUTLIER -101.22 12.25 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 6.0 p -123.6 161.63 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.458 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.511 ' HB3' ' CE2' ' B' ' 149' ' ' PHE . 27.6 mt-10 -89.89 31.21 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.25 -45.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.33 -44.22 54.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.696 HD13 ' CZ ' ' B' ' 149' ' ' PHE . 0.6 OUTLIER -74.15 -25.87 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.4 1.062 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . 0.534 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 4.6 ttpm? -68.18 -17.65 64.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -130.36 39.36 3.65 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.555 ' CD1' ' CD1' ' B' ' 114' ' ' LEU . 0.3 OUTLIER -121.75 175.31 6.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.237 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' ASP . . . . . 0.53 ' HB3' HD23 ' A' ' 60' ' ' LEU . 68.8 m-20 -122.38 -168.25 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.234 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.819 ' NZ ' ' HE ' ' B' ' 139' ' ' ARG . 0.0 OUTLIER -87.91 -38.27 15.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.187 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . 0.591 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 6.2 t70 -62.63 -19.64 63.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.408 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -76.22 -40.35 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' B' ' 125' ' ' LYS . 0.4 OUTLIER -77.11 -42.1 39.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.55 HG12 ' NH2' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -59.28 -39.77 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . 0.447 ' N ' HD12 ' B' ' 129' ' ' ILE . . . -78.53 -26.22 45.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 109.379 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . 0.635 ' CD1' ' CD1' ' B' ' 109' ' ' PHE . 0.0 OUTLIER -55.61 -29.53 59.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.586 1.179 . . . . 0.0 109.33 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 133.26 22.59 0.79 Allowed Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.652 HG13 ' CE2' ' B' ' 105' ' ' TYR . 2.5 m -121.5 79.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.382 0.696 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' B' ' 136' ' ' ILE . 15.1 p30 -76.32 -16.7 59.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . 0.495 ' O ' ' HD3' ' B' ' 139' ' ' ARG . 21.3 mttp -46.51 91.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.397 1.061 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' B' ' 134' ' ' ASN . 3.8 mt -58.48 128.45 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 137' ' ' GLY . . . . . 0.653 ' O ' ' N ' ' B' ' 140' ' ' LEU . . . 123.74 -96.01 0.53 Allowed Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.447 1.092 . . . . 0.0 111.049 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' B' ' 141' ' ' LYS . 1.4 m-20 -36.39 -50.91 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 0.73 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' ARG . . . . . 0.819 ' HE ' ' NZ ' ' B' ' 125' ' ' LYS . 0.1 OUTLIER -44.54 -28.06 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . 0.667 ' HB2' ' CG ' ' A' ' 43' ' ' ASP . 2.5 tt -68.23 -53.96 21.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' LYS . . . . . 0.556 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -53.51 -35.88 61.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . 0.556 ' N ' ' HG3' ' B' ' 141' ' ' LYS . 9.8 mt -56.23 -49.38 76.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' B' ' 140' ' ' LEU . 0.8 OUTLIER -61.39 -30.03 70.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.241 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -51.66 9.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' LYS . . . . . 0.528 ' HB3' ' CE1' ' B' ' 96' ' ' PHE . 0.8 OUTLIER -66.5 -28.79 68.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 146' ' ' SER . . . . . 0.431 ' N ' ' O ' ' B' ' 142' ' ' ILE . 17.5 m -54.0 -31.73 51.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . 0.469 ' C ' ' N ' ' B' ' 149' ' ' PHE . 2.0 mtpt -78.66 -15.95 57.88 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 148' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 35.6 t -46.62 -19.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.987 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 149' ' ' PHE . . . . . 0.696 ' CZ ' HD13 ' B' ' 120' ' ' ILE . 94.0 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.506 0.193 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.598 ' CG2' ' O ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -57.65 -23.41 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -62.81 -40.84 98.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.439 ' C ' ' CD2' ' A' ' 12' ' ' LEU . 3.3 tt -71.83 -24.85 61.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.629 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 31.4 t80 -80.11 -41.63 25.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.55 HD23 ' CE2' ' A' ' 26' ' ' PHE . 4.8 mt -68.81 -30.68 69.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.03 -35.49 81.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.432 1.082 . . . . 0.0 110.248 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -80.45 -32.47 37.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.509 ' CG2' ' HG3' ' A' ' 62' ' ' LYS . 2.1 pt -99.13 25.9 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.348 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' ILE . . . 34.01 83.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.533 1.145 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.503 ' HB3' ' CG ' ' A' ' 22' ' ' TYR . 48.6 m -153.37 32.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -55.39 -18.91 7.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.493 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 7.7 pt20 -98.93 29.08 3.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.622 ' O ' ' N ' ' A' ' 26' ' ' PHE . 9.6 m-85 -128.35 1.53 5.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' O ' HG13 ' A' ' 27' ' ' ILE . 2.7 mm? -63.52 -65.45 0.68 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.378 1.048 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -16.41 17.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.512 ' HB3' ' CG ' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -91.26 -41.91 10.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.374 1.046 . . . . 0.0 109.927 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.718 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 2.4 m-85 -70.21 -40.33 74.63 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.633 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 29.1 mt -62.97 -24.27 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -75.54 -46.67 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.701 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 39.7 t -79.0 -29.19 43.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 108.292 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.701 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 22.4 m-20 101.36 56.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.598 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 1.3 mm? -120.3 35.61 4.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.406 1.066 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.633 ' CG1' ' HA ' ' A' ' 27' ' ' ILE . 0.8 OUTLIER -98.17 21.25 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.418 1.074 . . . . 0.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.1 m -133.15 161.12 35.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.448 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 66' ' ' PHE . 35.1 mt-10 -89.71 22.85 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -132.27 -44.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 110.362 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 0.2 OUTLIER -53.79 -44.49 70.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.66 HD13 ' CZ ' ' A' ' 66' ' ' PHE . 1.2 pt -72.95 -18.59 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.551 ' HB2' ' HB2' ' A' ' 66' ' ' PHE . 5.6 tttm -77.7 -17.34 57.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.402 1.064 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -123.43 42.08 3.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.402 1.064 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -134.9 156.88 48.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.371 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.46 ' CB ' HD23 ' B' ' 143' ' ' LEU . 2.7 m-20 -100.32 -160.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.686 ' CB ' ' NZ ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -93.54 -42.22 9.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.634 ' O ' HG21 ' A' ' 46' ' ' ILE . 8.0 t0 -61.8 -29.68 70.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 mp -60.68 -37.2 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 109.27 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.718 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -81.27 -41.15 22.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.634 HG21 ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -49.54 -38.55 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.453 ' N ' HG22 ' A' ' 46' ' ' ILE . . . -78.18 -25.52 47.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.601 ' CD2' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -58.77 -28.84 66.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.231 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.58 -5.91 2.64 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 3.0 p -94.05 72.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 0.0 109.391 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -77.59 -17.09 58.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.435 ' NZ ' ' HB3' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -51.3 102.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.0 mt -64.9 134.15 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.258 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 121.22 -94.89 0.55 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.479 1.112 . . . . 0.0 111.052 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 54' ' ' GLY . 2.8 m-20 -35.24 -32.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.571 ' NH2' ' CD1' ' B' ' 129' ' ' ILE . 2.5 ttp-105 -48.07 -32.1 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.261 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.621 ' HB2' ' CB ' ' B' ' 126' ' ' ASP . 0.2 OUTLIER -70.71 -34.48 71.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.594 ' HG3' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.07 -51.27 70.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.594 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 27.7 mt -63.2 -24.16 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.223 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.563 ' CD1' ' HD2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -65.53 -41.82 92.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -41.34 46.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.629 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 40.7 mmtt -61.68 -45.2 95.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 37' ' ' ILE . 4.3 p -50.45 -30.44 12.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.125 . . . . 0.0 110.058 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -79.98 -22.51 42.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 62' ' ' LYS . 53.0 m -41.85 -25.05 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.66 ' CZ ' HD13 ' A' ' 37' ' ' ILE . 41.8 m-85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.633 ' CG2' ' CD1' ' B' ' 120' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . 0.467 ' HG2' ' CD1' ' B' ' 106' ' ' LEU . 61.3 mt-30 -62.64 -42.64 99.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.373 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.52 ' O ' ' HG3' ' B' ' 98' ' ' GLU . 2.6 tm? -66.02 -24.69 66.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . 0.587 ' CE1' ' CG2' ' B' ' 100' ' ' ILE . 2.8 t80 -87.97 -43.69 11.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.624 HD23 ' CD2' ' B' ' 109' ' ' PHE . 0.6 OUTLIER -60.11 -24.01 64.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -73.71 -32.5 63.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 4.0 tt0 -78.91 -25.01 43.75 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.587 ' CG2' ' CE1' ' B' ' 96' ' ' PHE . 0.6 OUTLIER -95.44 -15.97 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.84 67.49 1.51 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.422 1.076 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . 0.61 ' HB3' ' CG ' ' B' ' 105' ' ' TYR . 93.8 m -139.32 37.06 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 60.6 p -57.32 -24.97 58.43 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.532 1.145 . . . . 0.0 110.489 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . 0.585 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 1.4 pm0 -102.78 35.82 2.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.61 ' CG ' ' HB3' ' B' ' 102' ' ' CYS . 6.5 m-85 -128.98 3.48 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.517 ' O ' HG13 ' B' ' 110' ' ' ILE . 0.1 OUTLIER -61.82 -65.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.4 -16.04 20.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' SER . . . . . 0.482 ' HB3' ' CD2' ' B' ' 131' ' ' LEU . 12.4 m -89.29 -47.96 7.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.624 ' CD2' HD23 ' B' ' 97' ' ' LEU . 2.6 m-85 -68.38 -40.52 81.38 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.6 1.187 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.517 HG13 ' O ' ' B' ' 106' ' ' LEU . 14.8 mt -65.01 -23.67 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -72.45 -51.97 17.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . 0.655 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 33.4 t -81.49 -27.44 34.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.417 1.073 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.655 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 1.6 m-20 96.52 63.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.658 ' HB3' ' CG2' ' B' ' 120' ' ' ILE . 0.5 OUTLIER -115.82 17.5 16.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.339 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' B' ' 115' ' ' VAL . 1.3 p -109.32 51.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.234 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' THR . . . . . 0.46 ' O ' ' N ' ' B' ' 118' ' ' GLU . 19.6 m -138.21 20.1 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.547 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 19.0 mt-10 34.1 36.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.246 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' B' ' 116' ' ' THR . 16.8 tt0 -155.7 -44.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -37.43 78.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.703 HD13 ' CZ ' ' B' ' 149' ' ' PHE . 0.5 OUTLIER -67.61 -26.05 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . 0.522 ' CB ' ' HB2' ' B' ' 149' ' ' PHE . 1.3 pttt -85.35 -13.76 48.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.407 1.067 . . . . 0.0 109.25 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -116.69 42.81 2.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.579 ' HG ' ' HA ' ' B' ' 120' ' ' ILE . 0.1 OUTLIER -143.48 -169.32 3.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' ASP . . . . . 0.561 ' HB3' HD23 ' A' ' 60' ' ' LEU . 30.3 m-20 -121.93 -171.81 2.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.582 ' CB ' ' HD3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -85.98 -34.58 20.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . 0.621 ' CB ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -64.87 -27.2 68.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.441 ' CG2' HD21 ' B' ' 123' ' ' LEU . 1.1 mp -67.99 -37.73 78.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' B' ' 124' ' ' ASP . 1.9 mm? -69.13 -52.99 22.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.571 ' CD1' ' NH2' ' A' ' 56' ' ' ARG . 2.3 pp -60.71 -32.11 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . 0.441 ' N ' HD13 ' B' ' 129' ' ' ILE . . . -78.2 -29.36 48.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . 0.601 ' C ' ' CD2' ' B' ' 131' ' ' LEU . 0.0 OUTLIER -58.08 -27.22 63.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . 0.423 ' N ' ' CD2' ' B' ' 131' ' ' LEU . . . 133.53 37.72 0.23 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.57 1.169 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.607 HG23 ' CE2' ' B' ' 105' ' ' TYR . 4.4 t -123.51 74.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.45 0.735 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' ASN . . . . . 0.504 ' HA ' ' NH2' ' B' ' 139' ' ' ARG . 2.0 m-20 -66.65 -17.31 64.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' B' ' 139' ' ' ARG . 23.9 mttp -54.68 97.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 109.25 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.501 ' HA ' ' CD ' ' B' ' 139' ' ' ARG . 66.4 mt -66.78 129.8 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 137' ' ' GLY . . . . . 0.531 ' O ' ' OD1' ' A' ' 43' ' ' ASP . . . 117.96 -97.11 0.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' B' ' 141' ' ' LYS . 1.0 OUTLIER -36.59 -34.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.744 . . . . 0.0 109.334 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' ARG . . . . . 0.511 ' HD3' ' NZ ' ' B' ' 125' ' ' LYS . 4.4 ptp180 -45.86 -34.55 3.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . 0.603 ' HB3' ' OD1' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -75.88 -34.54 60.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' LYS . . . . . 0.539 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -52.86 -43.93 66.44 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . 0.539 ' N ' ' HG3' ' B' ' 141' ' ' LYS . 84.5 mt -63.79 -43.34 97.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.394 1.059 . . . . 0.0 109.222 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.478 ' CB ' ' HB2' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -57.5 -26.87 61.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -50.72 8.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' B' ' 148' ' ' SER . 0.1 OUTLIER -64.81 -31.5 72.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 146' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' B' ' 143' ' ' LEU . 1.5 p -51.19 -31.73 21.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 109.997 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' B' ' 149' ' ' PHE . 36.4 mtmt -79.15 -17.65 54.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.42 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 148' ' ' SER . . . . . 0.508 ' N ' ' O ' ' B' ' 145' ' ' LYS . 48.7 m -50.73 -18.5 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.956 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 149' ' ' PHE . . . . . 0.703 ' CZ ' HD13 ' B' ' 120' ' ' ILE . 87.9 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.066 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.524 0.202 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.514 ' CG1' ' HA ' ' A' ' 32' ' ' VAL . 0.5 OUTLIER -58.08 -19.97 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 57.6 mt-30 -61.63 -41.08 96.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.62 -39.18 67.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.592 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 6.9 t80 -71.88 -41.33 68.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.619 HD23 ' CZ ' ' A' ' 26' ' ' PHE . 10.5 mt -65.08 -37.77 88.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 3.1 mt-10 -70.04 -34.8 73.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -29.05 68.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 110.232 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.471 HG22 ' CE ' ' A' ' 62' ' ' LYS . 19.2 pt -96.92 -9.38 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.92 73.1 1.26 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.439 1.087 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.595 ' HB3' ' CG ' ' A' ' 22' ' ' TYR . 97.8 m -146.65 36.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.437 ' OG1' ' CG ' ' A' ' 15' ' ' GLU . 3.7 m -57.66 -22.52 46.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.425 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 3.3 pt20 -101.83 34.61 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.075 . . . . 0.0 110.338 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.595 ' CG ' ' HB3' ' A' ' 19' ' ' CYS . 7.3 m-85 -129.17 5.4 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.452 ' O ' HG13 ' A' ' 27' ' ' ILE . 20.9 mt -57.11 -68.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -64.97 -17.87 64.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.541 ' C ' HD13 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -78.61 -55.45 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.722 ' CD2' ' HB2' ' A' ' 31' ' ' LEU . 1.7 m-85 -66.01 -39.26 90.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.5 HG12 ' CG2' ' A' ' 32' ' ' VAL . 49.4 mt -62.47 -24.39 35.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -74.69 -39.24 62.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.639 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 18.1 t -89.2 -28.46 19.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.639 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 3.1 m-20 95.09 55.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.722 ' HB2' ' CD2' ' A' ' 26' ' ' PHE . 14.0 mt -113.18 22.85 13.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.514 ' HA ' ' CG1' ' A' ' 10' ' ' VAL . 5.0 t -94.28 37.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -139.66 143.9 37.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.628 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 30.8 mt-10 -80.32 17.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -131.05 -46.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 2.3 mm-40 -58.87 -42.5 89.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.718 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 2.3 pt -73.53 -18.93 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.553 ' HB2' ' CB ' ' A' ' 66' ' ' PHE . 1.5 ttpm? -85.65 -16.5 38.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -123.88 44.4 2.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.587 ' CD1' ' CD1' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -129.72 175.22 9.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 1.5 m-20 -103.53 175.52 5.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.757 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -84.23 -31.79 24.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.583 ' HB3' ' CG ' ' B' ' 140' ' ' LEU . 0.3 OUTLIER -79.41 -15.51 57.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.183 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.494 HD13 ' CD1' ' B' ' 140' ' ' LEU . 0.1 OUTLIER -72.4 -39.55 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' A' ' 42' ' ' LYS . 2.8 pp -70.49 -49.67 45.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.558 ' CG2' ' NZ ' ' B' ' 125' ' ' LYS . 0.8 OUTLIER -50.46 -35.6 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.523 ' N ' HG13 ' A' ' 46' ' ' ILE . . . -77.96 -27.39 49.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.71 HD23 ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -53.38 -29.26 33.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.404 1.065 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.21 -14.65 1.67 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.152 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.547 ' O ' ' HD2' ' A' ' 56' ' ' ARG . 2.2 p -86.05 75.98 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -79.44 -15.31 58.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.414 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 19.8 mtpp -48.75 98.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.475 HG21 ' CD1' ' B' ' 129' ' ' ILE . 57.4 mt -62.39 131.91 27.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 120.45 -96.5 0.62 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.552 1.157 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' GLY . 15.2 t70 -36.29 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.624 ' NH2' ' CD1' ' B' ' 129' ' ' ILE . 2.4 mtp180 -47.12 -35.1 6.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.6 1.188 . . . . 0.0 110.357 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.595 ' HB2' ' CB ' ' B' ' 126' ' ' ASP . 10.0 tt -63.69 -36.21 83.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -61.89 -54.94 35.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.447 ' CG2' HD22 ' A' ' 45' ' ' LEU . 45.2 mt -58.0 -28.83 34.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.589 ' CD1' ' HB3' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -62.22 -40.88 97.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.1 mmt-85 -77.89 -40.37 40.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.231 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.592 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 23.4 mmtm -58.31 -43.28 88.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 37' ' ' ILE . 89.0 p -51.29 -37.82 49.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -78.94 -18.5 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 10.2 t -47.06 -19.2 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.611 1.195 . . . . 0.0 110.021 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.718 ' CZ ' ' CD1' ' A' ' 37' ' ' ILE . 91.0 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 111.052 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.523 ' HB ' ' HA ' ' B' ' 115' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -60.81 -40.34 92.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.498 ' O ' ' HG3' ' B' ' 98' ' ' GLU . 2.1 tm? -68.61 -23.9 64.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . 0.506 ' CE2' ' HE1' ' B' ' 149' ' ' PHE . 4.1 t80 -85.34 -43.77 13.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.54 HD23 ' CE2' ' B' ' 109' ' ' PHE . 64.9 mt -62.8 -27.63 69.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -70.25 -31.93 69.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.494 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 5.8 tt0 -77.97 -26.91 49.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.316 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.497 ' O ' ' CE ' ' B' ' 141' ' ' LYS . 1.0 OUTLIER -96.09 -20.2 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 97' ' ' LEU . . . 80.45 67.26 1.57 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . 0.603 ' HB3' ' CG ' ' B' ' 105' ' ' TYR . 91.3 m -142.31 44.64 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -60.76 -17.94 51.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -102.18 31.87 3.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.673 ' CD2' HG12 ' B' ' 133' ' ' VAL . 11.9 m-85 -129.14 1.87 5.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.454 ' O ' HG13 ' B' ' 110' ' ' ILE . 9.4 mp -67.45 -60.58 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.48 -18.06 10.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' SER . . . . . 0.508 ' HB2' ' CD2' ' B' ' 131' ' ' LEU . 0.0 OUTLIER -94.4 -39.22 10.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.675 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 2.6 m-85 -73.52 -39.31 64.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.605 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 45.8 mt -61.31 -25.0 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -80.2 -43.87 20.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . 0.651 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 32.2 t -75.61 -29.04 59.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 108.326 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.651 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 4.2 m-20 95.01 49.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.675 ' HB2' ' CD2' ' B' ' 109' ' ' PHE . 85.2 mt -114.81 30.88 7.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.605 ' CG1' ' HA ' ' B' ' 110' ' ' ILE . 1.2 m -95.61 21.61 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 44.2 p -125.86 157.59 37.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 110.363 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.503 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 25.0 mt-10 -89.69 32.79 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' B' ' 121' ' ' LYS . 1.8 mp0 -143.32 -44.79 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.421 ' HA ' ' CD1' ' B' ' 122' ' ' TYR . 1.7 mt-10 -53.11 -44.16 67.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.679 HD13 ' CZ ' ' B' ' 149' ' ' PHE . 0.6 OUTLIER -76.17 -18.91 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . 0.496 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 21.8 ttpp -72.65 -17.38 61.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.714 ' O ' ' CG ' ' B' ' 122' ' ' TYR . 0.6 OUTLIER -134.34 37.52 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.537 HD11 ' CG2' ' B' ' 127' ' ' ILE . 0.0 OUTLIER -116.87 166.45 12.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.371 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' ASP . . . . . 0.589 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -113.29 -169.73 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.643 ' HG2' ' HG3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -91.21 -38.6 12.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.318 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . 0.606 ' HA ' ' CG1' ' B' ' 129' ' ' ILE . 2.4 t70 -55.96 -28.28 56.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.537 ' CG2' HD11 ' B' ' 123' ' ' LEU . 0.7 OUTLIER -72.32 -37.67 59.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.625 ' CB ' ' CZ ' ' B' ' 139' ' ' ARG . 0.5 OUTLIER -68.46 -57.13 6.3 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.624 ' CD1' ' NH2' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -50.89 -36.47 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.7 -27.06 55.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . 0.62 ' C ' ' CD2' ' B' ' 131' ' ' LEU . 0.0 OUTLIER -62.19 -26.74 68.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.192 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . 0.41 ' N ' ' CD2' ' B' ' 131' ' ' LEU . . . 129.96 17.38 1.66 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.673 HG12 ' CD2' ' B' ' 105' ' ' TYR . 31.6 m -122.09 71.66 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.804 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' B' ' 136' ' ' ILE . 15.5 t30 -71.62 -13.67 61.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' B' ' 139' ' ' ARG . 34.8 mttp -40.77 97.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' B' ' 134' ' ' ASN . 8.8 mt -68.03 128.96 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 137' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' B' ' 138' ' ' ASP . . . 122.71 -98.89 0.63 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' ASP . . . . . 0.546 ' O ' ' CG ' ' B' ' 141' ' ' LYS . 12.4 t70 -37.56 -35.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' ARG . . . . . 0.625 ' CZ ' ' CB ' ' B' ' 128' ' ' LEU . 0.0 OUTLIER -48.39 -31.66 6.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.259 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . 0.583 ' CG ' ' HB3' ' A' ' 43' ' ' ASP . 7.2 tt -68.25 -35.0 77.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' LYS . . . . . 0.671 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -61.95 -42.37 99.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . 0.671 ' N ' ' HG3' ' B' ' 141' ' ' LYS . 9.6 mt -64.75 -35.22 74.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.55 ' C ' ' CD1' ' B' ' 143' ' ' LEU . 0.3 OUTLIER -64.71 -34.74 79.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.15 -49.58 10.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' B' ' 148' ' ' SER . 10.2 mttp -63.68 -33.01 74.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 146' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' B' ' 142' ' ' ILE . 4.4 m -52.86 -32.75 46.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . 0.476 ' C ' ' N ' ' B' ' 149' ' ' PHE . 3.8 ptpt -80.09 -15.94 56.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 148' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 67.8 m -43.13 -21.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.048 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 149' ' ' PHE . . . . . 0.679 ' CZ ' HD13 ' B' ' 120' ' ' ILE . 87.2 m-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.5 0.191 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -59.04 -21.43 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.93 -36.91 84.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tt -70.09 -37.83 75.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 10.8 t80 -76.83 -40.21 48.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.679 HD23 ' CE2' ' A' ' 26' ' ' PHE . 7.4 mt -65.51 -37.26 86.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -66.57 -24.87 66.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -81.24 -28.99 34.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.355 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.524 HG21 ' CD ' ' A' ' 62' ' ' LYS . 5.7 pt -97.1 -10.73 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 14' ' ' LEU . . . 83.29 67.63 1.46 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.423 1.077 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.581 ' HB3' ' CG ' ' A' ' 22' ' ' TYR . 56.1 m -143.97 38.95 1.33 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 t -59.7 -20.24 55.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.408 1.068 . . . . 0.0 110.443 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.616 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 18.5 pm0 -101.03 30.92 3.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.698 ' CE2' ' CG1' ' A' ' 50' ' ' VAL . 6.5 m-85 -127.44 3.12 6.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 mt -56.79 -68.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -63.63 -18.7 64.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.514 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 3.8 m -78.86 -52.32 8.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.073 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.679 ' CE2' HD23 ' A' ' 14' ' ' LEU . 2.4 m-85 -68.26 -38.72 82.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.511 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 33.1 mt -65.17 -23.53 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -72.89 -54.49 8.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.245 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.614 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 32.1 t -67.73 -59.49 3.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 108.289 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 11.3 p30 146.18 40.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.633 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 1.4 mm? -112.64 51.14 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.614 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 0.5 OUTLIER -111.12 11.34 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.8 m -126.29 178.37 5.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.482 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.525 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 28.1 mt-10 -105.54 43.05 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.4 -46.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.95 -42.27 65.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.292 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.731 HD13 ' CZ ' ' A' ' 66' ' ' PHE . 0.8 OUTLIER -73.42 -18.07 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.523 ' HB2' ' HB2' ' A' ' 66' ' ' PHE . 21.8 ttpp -75.49 -17.41 60.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -130.99 44.49 2.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.637 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -121.0 169.82 10.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.206 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.52 ' N ' HD13 ' A' ' 40' ' ' LEU . 51.6 m-20 -121.29 161.0 22.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.643 ' HG2' ' CG ' ' B' ' 125' ' ' LYS . 2.5 tttt -65.0 -41.25 95.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.635 ' CB ' ' HB3' ' B' ' 140' ' ' LEU . 2.7 t70 -62.18 -23.53 66.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.53 -35.05 31.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.529 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 1.4 mt -77.44 -51.03 11.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.566 HD12 ' CD1' ' B' ' 136' ' ' ILE . 0.2 OUTLIER -48.81 -38.63 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.11 -26.5 53.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.348 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.575 ' CD2' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -59.53 -26.92 65.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 129.66 19.49 1.47 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.698 ' CG1' ' CE2' ' A' ' 22' ' ' TYR . 27.7 m -122.16 74.46 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.532 ' O ' ' C ' ' A' ' 52' ' ' LYS . 3.0 m-80 -69.2 -14.78 63.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -30.44 96.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 51' ' ' ASN . 2.0 mt -72.89 120.99 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 119.13 -93.24 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 54' ' ' GLY . 18.0 t0 -34.98 -31.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 54' ' ' GLY . 23.8 mtm180 -45.87 -33.86 3.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.668 ' HB2' ' CG ' ' B' ' 126' ' ' ASP . 0.6 OUTLIER -63.02 -43.67 98.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.618 1.199 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.44 -51.94 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' SG ' ' A' ' 19' ' ' CYS . 4.5 mt -55.05 -29.84 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -67.01 -42.59 84.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -75.46 -49.2 19.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 65' ' ' SER . 23.8 mmtm -58.42 -37.38 75.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 2.6 m -53.32 -37.54 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.464 ' C ' ' N ' ' A' ' 66' ' ' PHE . 2.5 mtmp? -78.01 -17.7 56.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 13.7 t -45.24 -19.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.731 ' CZ ' HD13 ' A' ' 37' ' ' ILE . 97.0 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.605 ' CG2' ' CD1' ' B' ' 120' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -42.21 97.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' B' ' 98' ' ' GLU . 0.9 OUTLIER -64.93 -24.52 67.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' B' ' 145' ' ' LYS . 2.3 t80 -85.35 -40.1 16.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.541 ' HA ' ' CG1' ' B' ' 100' ' ' ILE . 95.7 mt -61.99 -26.67 68.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -64.38 -33.83 76.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 47.5 tt0 -79.79 -33.92 40.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.552 HG21 ' CB ' ' B' ' 145' ' ' LYS . 4.9 pt -97.33 25.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' B' ' 100' ' ' ILE . . . 32.38 79.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.128 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . 0.555 ' HB3' ' CG ' ' B' ' 105' ' ' TYR . 31.1 m -139.72 38.4 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 7.5 m -58.69 -20.99 53.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.367 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . 0.59 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 4.6 pm0 -100.95 32.0 3.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.623 ' O ' ' N ' ' B' ' 109' ' ' PHE . 9.1 m-85 -128.42 0.93 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.426 ' O ' HG13 ' B' ' 110' ' ' ILE . 5.5 mt -53.52 -70.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.5 -16.35 62.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' SER . . . . . 0.48 ' HB3' ' CD2' ' B' ' 131' ' ' LEU . 1.9 m -81.44 -39.72 24.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.639 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 2.6 m-85 -85.24 -35.45 21.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.439 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 37.4 mt -64.13 -25.78 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -82.72 -49.91 9.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.157 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . 0.657 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 52.0 t -69.03 -30.78 69.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 108.303 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.657 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 3.4 m-20 96.03 43.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.181 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.639 ' HB2' ' CD2' ' B' ' 109' ' ' PHE . 34.6 mt -103.88 16.06 27.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.522 ' HA ' ' CG1' ' B' ' 93' ' ' VAL . 1.9 p -106.96 50.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' THR . . . . . 0.48 ' O ' ' N ' ' B' ' 118' ' ' GLU . 17.3 p -138.36 18.8 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.45 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.5 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 14.7 mt-10 34.6 34.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.536 ' O ' ' CG ' ' B' ' 121' ' ' LYS . 18.0 tp10 -150.35 -45.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -57.59 -38.12 74.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.308 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.709 HD13 ' CZ ' ' B' ' 149' ' ' PHE . 0.5 OUTLIER -70.47 -26.2 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . 0.603 ' CB ' ' HB2' ' B' ' 149' ' ' PHE . 0.0 OUTLIER -72.54 -15.22 61.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.31 33.68 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.561 ' CD1' ' CD1' ' B' ' 114' ' ' LEU . 0.2 OUTLIER -122.5 179.86 4.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' ASP . . . . . 0.463 ' N ' ' HG ' ' B' ' 123' ' ' LEU . 0.2 OUTLIER -121.07 -161.59 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.643 ' CG ' ' HG2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -93.74 -35.48 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . 0.668 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 32.9 t0 -65.99 -29.14 69.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.464 ' CG2' HD12 ' B' ' 123' ' ' LEU . 1.2 mp -58.52 -33.1 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.521 ' HA ' ' HB3' ' B' ' 131' ' ' LEU . 3.3 mm? -70.98 -48.27 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.576 HG22 ' O ' ' B' ' 126' ' ' ASP . 0.2 OUTLIER -50.93 -41.04 21.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.23 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.57 -30.01 59.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . 0.521 ' HB3' ' HA ' ' B' ' 128' ' ' LEU . 0.1 OUTLIER -61.5 -28.92 69.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 127.78 42.08 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.541 ' O ' ' NE ' ' B' ' 139' ' ' ARG . 59.2 t -121.65 88.59 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -81.28 -17.84 47.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . 0.461 ' HD2' ' OH ' ' B' ' 105' ' ' TYR . 7.1 ptpp? -67.48 98.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.566 ' CD1' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -68.61 138.11 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 137' ' ' GLY . . . . . 0.464 ' O ' ' OD1' ' A' ' 43' ' ' ASP . . . 118.65 -98.42 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' B' ' 137' ' ' GLY . 4.6 m-20 -37.73 -33.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' ARG . . . . . 0.615 HH11 ' NZ ' ' B' ' 125' ' ' LYS . 19.9 ttm180 -47.02 -32.04 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . 0.635 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -75.38 -37.78 60.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' LYS . . . . . 0.579 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -52.58 -42.63 64.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . 0.579 ' N ' ' HG3' ' B' ' 141' ' ' LYS . 96.5 mt -63.43 -43.42 98.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.519 ' CD1' ' HB3' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -58.07 -28.63 64.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -53.99 6.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' LYS . . . . . 0.552 ' CB ' HG21 ' B' ' 100' ' ' ILE . 0.4 OUTLIER -65.53 -28.82 69.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 146' ' ' SER . . . . . 0.478 ' HB2' ' CD2' ' B' ' 123' ' ' LEU . 88.2 p -51.54 -32.72 29.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . 0.462 ' C ' ' N ' ' B' ' 149' ' ' PHE . 6.7 mtmt -78.73 -17.21 56.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 148' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 68.4 m -45.82 -20.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.016 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 149' ' ' PHE . . . . . 0.709 ' CZ ' HD13 ' B' ' 120' ' ' ILE . 78.8 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.549 0.214 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.633 ' CG2' ' CD1' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -58.19 -19.95 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -61.62 -39.79 92.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.06 -34.38 76.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.617 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 3.6 t80 -80.4 -36.58 33.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.64 HD23 ' CE2' ' A' ' 26' ' ' PHE . 20.1 mt -70.5 -24.82 62.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -68.13 -39.72 82.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -31.62 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.505 HG23 ' CG ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -97.53 26.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' ILE . . . 35.58 88.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.115 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.575 ' SG ' ' CG ' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -141.58 33.94 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 m -57.57 -37.55 73.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.434 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.401 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 6.7 pm0 -96.85 29.86 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.606 ' CE2' HG23 ' A' ' 50' ' ' VAL . 36.5 m-85 -128.53 -0.24 5.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.432 ' O ' HG13 ' A' ' 27' ' ' ILE . 9.6 mp -66.86 -62.61 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.49 -18.23 38.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.524 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -88.69 -40.62 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.64 ' CE2' HD23 ' A' ' 14' ' ' LEU . 2.7 m-85 -72.5 -39.5 67.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.457 ' CG1' HG21 ' A' ' 32' ' ' VAL . 14.1 mt -65.22 -24.55 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -71.75 -50.67 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.657 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 35.0 t -81.13 -28.58 35.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.254 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.657 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 12.5 m-20 96.48 64.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.682 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 1.1 mm? -117.26 20.8 13.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.514 ' HA ' ' CG1' ' A' ' 10' ' ' VAL . 1.1 t -108.96 48.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.597 1.186 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 35' ' ' GLU . 3.8 m -136.34 17.36 3.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 0.0 110.396 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 20.2 mt-10 34.89 33.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 18.1 tt0 -147.9 -45.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.98 -39.8 86.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.297 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.724 HD13 ' CZ ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -68.79 -18.89 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.619 ' CB ' ' HB2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -83.97 -14.4 50.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.85 43.86 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -134.58 171.8 13.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -98.75 -173.06 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.388 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.603 ' CG ' ' CG ' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -92.78 -40.96 10.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.526 ' O ' HG13 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -62.66 -19.16 63.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -67.16 -34.32 68.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.367 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.506 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 2.9 mm? -71.89 -50.1 32.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.552 HG13 ' N ' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -53.26 -36.31 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.552 ' N ' HG13 ' A' ' 46' ' ' ILE . . . -80.34 -29.62 38.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.524 ' CD2' ' HB3' ' A' ' 25' ' ' SER . 0.0 OUTLIER -53.46 -28.16 28.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.65 38.9 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.606 HG23 ' CE2' ' A' ' 22' ' ' TYR . 6.6 t -123.69 91.53 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -81.47 -16.65 51.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -72.08 97.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 56' ' ' ARG . 1.6 pt -71.0 118.27 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 145.43 -94.52 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 54' ' ' GLY . 7.0 m-20 -35.57 -33.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 0.788 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 54' ' ' GLY . 3.4 mtp180 -48.66 -33.45 9.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.699 ' HB2' ' CB ' ' B' ' 126' ' ' ASP . 0.2 OUTLIER -63.86 -40.86 97.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.565 ' HG3' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -56.75 -49.84 74.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.372 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.565 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 83.2 mt -60.85 -35.59 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -56.23 -39.53 72.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -46.43 21.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.246 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.617 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 32.2 mmtt -60.43 -38.89 85.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 59' ' ' ILE . 56.2 m -50.67 -37.49 41.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.443 ' C ' ' N ' ' A' ' 66' ' ' PHE . 3.0 mppt? -79.18 -19.09 51.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 11.0 t -48.88 -18.49 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.724 ' CZ ' HD13 ' A' ' 37' ' ' ILE . 94.5 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.484 ' CG2' HD12 ' B' ' 120' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -62.64 -40.79 98.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -65.27 -23.83 67.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . 0.601 ' CD2' HD11 ' B' ' 120' ' ' ILE . 12.8 t80 -84.63 -42.18 15.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.528 ' HA ' ' CG1' ' B' ' 100' ' ' ILE . 30.1 mt -63.88 -25.38 68.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 1.4 pp20? -64.28 -34.53 78.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 3.1 tt0 -80.33 -35.47 35.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.551 ' CG2' ' HD2' ' B' ' 145' ' ' LYS . 19.1 pt -97.06 22.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' B' ' 100' ' ' ILE . . . 30.33 81.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.412 1.07 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . 0.578 ' HB3' ' CG ' ' B' ' 105' ' ' TYR . 32.7 m -137.32 43.49 2.32 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 54.9 m -59.54 -19.1 45.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . 0.586 ' HG2' ' CD1' ' B' ' 105' ' ' TYR . 1.7 pt20 -98.31 27.73 4.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.743 ' CE2' HG23 ' B' ' 133' ' ' VAL . 20.0 m-85 -129.0 2.06 5.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.46 -66.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -72.21 -15.56 61.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' SER . . . . . 0.482 ' OG ' ' HA ' ' B' ' 105' ' ' TYR . 0.8 OUTLIER -78.93 -48.67 14.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.927 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.667 ' CD2' ' CB ' ' B' ' 114' ' ' LEU . 1.7 m-85 -70.33 -35.03 73.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.968 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.471 ' HA ' HG22 ' B' ' 115' ' ' VAL . 83.7 mt -64.96 -23.28 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -80.81 -48.41 12.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.567 1.167 . . . . 0.0 110.339 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . 0.632 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 12.8 t -76.9 -28.86 55.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.632 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 7.2 m-20 94.31 66.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.667 ' CB ' ' CD2' ' B' ' 109' ' ' PHE . 2.3 mt -126.41 23.36 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.477 ' HA ' ' HB ' ' B' ' 93' ' ' VAL . 18.1 t -93.12 36.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.52 157.27 45.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.559 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 10.7 mp0 -89.0 32.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' B' ' 121' ' ' LYS . 0.3 OUTLIER -143.52 -47.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -41.93 93.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.731 ' CD1' ' CZ ' ' B' ' 149' ' ' PHE . 1.7 pt -73.68 -18.1 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . 0.506 ' HB2' ' HB2' ' B' ' 149' ' ' PHE . 5.4 tptt -75.26 -18.29 60.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' B' ' 122' ' ' TYR . 76.0 t80 -128.85 45.06 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' B' ' 120' ' ' ILE . 0.0 OUTLIER -114.46 165.19 13.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' ASP . . . . . 0.484 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -121.83 -169.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.603 ' CG ' ' CG ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -91.35 -36.83 13.62 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.638 1.211 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . 0.699 ' CB ' ' HB2' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -62.35 -40.83 97.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.465 HD13 ' CD2' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -67.14 -33.69 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.532 ' HB3' ' CG ' ' B' ' 139' ' ' ARG . 6.3 tp -73.58 -55.04 6.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.55 ' CG1' ' HA ' ' B' ' 126' ' ' ASP . 2.8 pp -54.28 -34.98 28.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . 0.444 ' N ' HD11 ' B' ' 129' ' ' ILE . . . -78.28 -26.11 46.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . 0.605 ' CD2' HG21 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -60.67 -25.34 66.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 143.45 -7.04 1.99 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.743 HG23 ' CE2' ' B' ' 105' ' ' TYR . 13.9 t -88.86 64.01 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -59.23 -16.66 22.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . 0.814 ' O ' ' NH1' ' B' ' 139' ' ' ARG . 7.4 mttm -74.77 88.39 2.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.52 ' HB ' ' CD1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -60.69 141.63 16.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 137' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' B' ' 139' ' ' ARG . . . 131.62 -92.58 0.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' ASP . . . . . 0.595 ' CB ' ' NH2' ' B' ' 139' ' ' ARG . 0.2 OUTLIER -35.08 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' ARG . . . . . 0.814 ' NH1' ' O ' ' B' ' 135' ' ' LYS . 0.0 OUTLIER -51.33 -33.47 29.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . 0.518 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 5.3 tp -62.62 -37.42 86.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -52.06 65.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' B' ' 146' ' ' SER . 1.3 mt -59.84 -25.98 34.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.464 ' O ' ' OG ' ' B' ' 146' ' ' SER . 1.3 mt -63.54 -41.45 98.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.631 1.207 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -78.19 -46.8 19.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' LYS . . . . . 0.568 ' HB3' ' CZ ' ' B' ' 96' ' ' PHE . 6.1 mmtp -63.71 -37.2 86.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 146' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' B' ' 142' ' ' ILE . 10.3 p -53.24 -31.06 41.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.888 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . 0.47 ' C ' ' N ' ' B' ' 149' ' ' PHE . 1.0 OUTLIER -79.03 -17.72 54.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 148' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 8.9 t -46.63 -19.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.165 . . . . 0.0 109.966 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 149' ' ' PHE . . . . . 0.731 ' CZ ' ' CD1' ' B' ' 120' ' ' ILE . 97.0 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.571 0.224 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.588 ' CG2' ' CD1' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -58.65 -20.64 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -62.93 -39.63 95.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.437 ' C ' ' CD1' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -72.53 -33.98 67.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.629 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 1.8 t80 -80.39 -39.37 28.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.633 HD23 ' CZ ' ' A' ' 26' ' ' PHE . 10.8 mt -64.66 -40.0 94.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -72.61 -24.6 61.1 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 9.1 tt0 -77.5 -27.0 51.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.505 HD13 ' CD2' ' A' ' 14' ' ' LEU . 50.2 pt -96.8 -6.32 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.8 67.96 1.43 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.543 1.152 . . . . 0.0 111.075 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.518 ' SG ' ' CD1' ' A' ' 59' ' ' ILE . 97.5 m -147.87 34.59 0.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 m -57.9 -22.01 46.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.589 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 8.0 pm0 -102.28 34.18 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.589 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 10.0 m-85 -129.21 8.72 5.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 27' ' ' ILE . 16.0 mt -63.24 -66.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.58 -18.87 33.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.511 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -84.06 -44.4 14.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.948 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.633 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 2.4 m-85 -76.55 -34.99 58.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.459 ' CG1' HG22 ' A' ' 32' ' ' VAL . 36.2 mt -67.47 -25.3 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -71.91 -51.26 23.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.654 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 34.6 t -79.54 -30.3 41.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 108.32 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.654 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 1.6 t30 97.24 63.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.692 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 1.0 OUTLIER -115.63 19.68 15.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.546 ' HA ' ' CG1' ' A' ' 10' ' ' VAL . 0.7 OUTLIER -107.11 45.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 34' ' ' GLU . 38.3 p -132.17 16.13 4.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.585 1.178 . . . . 0.0 110.357 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.56 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 25.0 mt-10 33.42 40.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.486 ' CB ' ' HE2' ' A' ' 38' ' ' LYS . 10.0 mt-10 -157.19 -45.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 3.9 mm-40 -60.1 -38.99 84.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.403 1.064 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.711 HD13 ' CZ ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -64.24 -25.35 37.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.524 ' CB ' ' HB2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -83.79 -13.33 54.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -118.54 42.23 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.166 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.643 ' HG ' ' HA ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -147.96 -168.15 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.225 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.461 ' N ' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -119.26 177.26 4.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.619 ' CG ' ' HB3' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -89.38 -35.77 15.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.256 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.548 ' OD1' ' CB ' ' B' ' 139' ' ' ARG . 5.4 t70 -64.48 -17.81 64.2 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.547 HD13 ' CD1' ' B' ' 140' ' ' LEU . 0.2 OUTLIER -73.5 -36.71 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.628 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 1.7 mt -64.1 -41.57 97.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.467 HG12 ' CZ ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -48.59 -37.13 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.454 ' N ' HG23 ' A' ' 46' ' ' ILE . . . -79.49 -30.75 42.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.571 ' CD2' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -54.7 -27.1 38.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 138.56 4.54 1.63 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.515 HG21 ' CD2' ' A' ' 48' ' ' LEU . 3.0 t -86.73 77.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -78.98 -17.48 55.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -69.76 98.25 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.428 ' HA ' ' NH2' ' A' ' 56' ' ' ARG . 2.1 pt -68.7 129.88 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 129.73 -95.17 0.35 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' GLY . 1.8 m-20 -35.78 -31.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.585 0.815 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 54' ' ' GLY . 4.0 mtm-85 -47.84 -33.54 7.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.597 ' HB2' ' CB ' ' B' ' 126' ' ' ASP . 6.0 tt -63.62 -36.12 82.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -61.56 -53.47 55.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.518 ' CD1' ' SG ' ' A' ' 19' ' ' CYS . 21.8 mt -57.57 -29.39 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.58 ' HB2' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.84 -42.01 98.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -76.97 -41.56 42.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.629 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 70.5 mmtt -61.53 -41.24 97.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.237 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.455 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 50.8 m -52.12 -34.76 45.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.042 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 60' ' ' LEU . 23.6 mttt -81.31 -17.52 48.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 18.4 t -53.74 -16.47 1.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.711 ' CZ ' HD13 ' A' ' 37' ' ' ILE . 97.3 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.609 ' CG2' ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . 0.471 ' CG ' HD12 ' B' ' 106' ' ' LEU . 0.0 OUTLIER -62.96 -41.1 99.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.503 ' O ' ' HG3' ' B' ' 98' ' ' GLU . 0.2 OUTLIER -65.54 -24.77 67.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . 0.636 ' CD2' HD11 ' B' ' 120' ' ' ILE . 6.7 t80 -86.59 -43.36 12.74 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.135 . . . . 0.0 111.065 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' B' ' 101' ' ' GLY . 97.0 mt -61.98 -24.92 67.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.4 OUTLIER -71.75 -31.44 66.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.363 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 1.8 tp10 -81.19 -26.09 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.406 ' HB ' ' HD2' ' B' ' 141' ' ' LYS . 0.4 OUTLIER -96.52 -20.15 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 97' ' ' LEU . . . 80.3 66.89 1.61 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . 0.603 ' HB3' ' CG ' ' B' ' 105' ' ' TYR . 32.4 m -140.27 45.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 47.3 m -60.28 -18.52 49.76 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . 0.478 ' HG2' ' CD1' ' B' ' 105' ' ' TYR . 0.9 OUTLIER -101.55 30.86 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.603 ' CG ' ' HB3' ' B' ' 102' ' ' CYS . 24.3 m-85 -129.01 2.96 5.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.471 HD12 ' CG ' ' B' ' 94' ' ' GLN . 4.5 mm? -62.19 -65.19 0.73 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.37 -19.18 61.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' SER . . . . . 0.541 ' O ' ' CG ' ' B' ' 111' ' ' GLN . 0.3 OUTLIER -85.99 -34.82 20.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.022 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.659 ' CD2' ' HB3' ' B' ' 114' ' ' LEU . 2.3 m-85 -81.65 -27.7 33.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.652 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 89.7 mt -71.01 -26.37 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' B' ' 108' ' ' SER . 6.5 pt20 -82.16 -37.0 26.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . 0.691 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 17.2 t -81.45 -29.34 33.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 108.275 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.691 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 18.0 m-20 99.16 42.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.659 ' HB3' ' CD2' ' B' ' 109' ' ' PHE . 0.2 OUTLIER -108.43 35.58 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.652 ' CG1' ' HA ' ' B' ' 110' ' ' ILE . 0.8 OUTLIER -98.39 21.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' THR . . . . . 0.543 ' CG2' ' HB2' ' B' ' 119' ' ' GLU . 3.2 t -135.96 172.32 13.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.521 ' HB3' ' CE2' ' B' ' 149' ' ' PHE . 23.4 mt-10 -100.51 39.11 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -144.62 -48.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.543 ' HB2' ' CG2' ' B' ' 116' ' ' THR . 0.6 OUTLIER -59.69 -40.27 87.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.777 ' CD1' ' CZ ' ' B' ' 149' ' ' PHE . 1.7 pt -72.46 -18.36 18.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . 0.496 ' HB2' ' HB2' ' B' ' 149' ' ' PHE . 10.5 ttpt -76.94 -22.43 53.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.64 42.36 2.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.445 HD11 ' CD1' ' B' ' 128' ' ' LEU . 0.2 OUTLIER -119.04 158.59 25.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' ASP . . . . . 0.552 ' HB3' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -120.95 -176.74 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.619 ' HB3' ' CG ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -73.0 -35.24 66.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . 0.597 ' CB ' ' HB2' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -63.51 -33.48 75.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.415 HG21 ' HB2' ' B' ' 123' ' ' LEU . 0.4 OUTLIER -67.06 -35.57 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.584 ' HA ' ' HB3' ' B' ' 131' ' ' LEU . 0.7 OUTLIER -74.03 -53.21 10.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.463 HG21 ' O ' ' B' ' 126' ' ' ASP . 2.4 tt -54.19 -39.37 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.91 -28.72 35.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . 0.584 ' HB3' ' HA ' ' B' ' 128' ' ' LEU . 0.0 OUTLIER -57.24 -27.71 62.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 140.11 -11.07 3.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.107 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.579 HG11 ' CE2' ' B' ' 105' ' ' TYR . 14.4 m -88.93 65.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' ASN . . . . . 0.4 ' HA ' HG12 ' B' ' 129' ' ' ILE . 12.8 p30 -55.66 -16.19 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . 0.535 ' O ' ' NH2' ' B' ' 139' ' ' ARG . 0.1 OUTLIER -64.95 96.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.434 ' CD1' HD12 ' A' ' 46' ' ' ILE . 13.1 pt -68.37 145.09 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 137' ' ' GLY . . . . . 0.549 ' O ' ' N ' ' B' ' 139' ' ' ARG . . . 121.54 -90.01 0.44 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.462 1.101 . . . . 0.0 111.081 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' B' ' 137' ' ' GLY . 0.2 OUTLIER -34.52 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' B' ' 137' ' ' GLY . 0.0 OUTLIER -46.12 -35.7 5.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . 0.547 ' CD1' HD13 ' A' ' 44' ' ' ILE . 2.8 tt -65.33 -37.64 87.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' LYS . . . . . 0.612 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -61.64 -51.09 69.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.176 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . 0.612 ' N ' ' HG3' ' B' ' 141' ' ' LYS . 38.3 mt -65.5 -17.72 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' B' ' 140' ' ' LEU . 0.2 OUTLIER -69.02 -39.84 79.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -77.19 -47.24 20.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 110.25 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' LYS . . . . . 0.533 ' HB3' ' CE1' ' B' ' 96' ' ' PHE . 5.3 mmtt -61.76 -40.5 95.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 146' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 143' ' ' LEU . 17.9 p -52.9 -31.0 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.396 1.06 . . . . 0.0 110.05 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . 0.457 ' C ' ' N ' ' B' ' 149' ' ' PHE . 0.0 OUTLIER -79.18 -18.72 52.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 148' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 50.1 m -44.28 -23.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 0.0 109.965 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 149' ' ' PHE . . . . . 0.777 ' CZ ' ' CD1' ' B' ' 120' ' ' ILE . 68.7 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.53 0.205 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -58.39 -19.65 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -62.4 -40.05 95.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tt -71.11 -36.06 72.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.62 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 64.1 t80 -77.03 -42.39 38.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.073 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.634 HD23 ' CZ ' ' A' ' 26' ' ' PHE . 11.6 mt -68.55 -25.05 64.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -77.78 -39.17 44.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 13' ' ' PHE . 2.2 pt-20 -69.85 -23.65 63.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.209 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.509 HG12 ' HA ' ' A' ' 14' ' ' LEU . 5.8 pt -96.15 -15.79 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.89 70.41 1.35 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.613 ' HB3' ' CG ' ' A' ' 22' ' ' TYR . 18.6 m -147.86 35.62 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -54.65 -21.28 10.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.527 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -101.23 34.73 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.613 ' CG ' ' HB3' ' A' ' 19' ' ' CYS . 8.2 m-85 -129.74 3.73 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.98 -63.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.92 -18.58 57.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.549 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -86.37 -35.85 19.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 3.5 m-85 -84.18 -29.84 26.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.574 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 41.7 mt -70.51 -25.81 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.549 ' CG ' ' O ' ' A' ' 25' ' ' SER . 9.2 pt20 -79.79 -39.26 31.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 1.07 . . . . 0.0 110.366 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.673 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 48.3 t -80.48 -31.55 37.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 108.318 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.673 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 50.4 t30 98.42 49.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.228 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.547 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -116.11 33.25 5.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 0.0 109.279 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.574 ' CG1' ' HA ' ' A' ' 27' ' ' ILE . 0.8 OUTLIER -95.57 21.31 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.363 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -134.95 166.22 23.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.482 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 23.8 mt-10 -95.17 36.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 3.7 tt0 -143.22 -48.5 0.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 55.8 mm-40 -55.15 -39.97 70.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.365 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.714 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -71.05 -29.59 37.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 2.9 ptpt -81.6 -11.98 58.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -117.91 35.91 4.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.521 ' CD2' ' O ' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -141.63 -175.88 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.483 ' HB3' ' CD2' ' B' ' 143' ' ' LEU . 0.0 OUTLIER -114.51 -169.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.56 ' CG ' ' HB3' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -97.84 -30.38 12.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.642 ' CG ' ' HA ' ' B' ' 140' ' ' LEU . 2.4 m-20 -62.84 -32.31 73.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.575 ' CD1' ' CD1' ' B' ' 140' ' ' LEU . 1.1 mp -64.6 -32.47 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.581 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -62.34 -44.09 97.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.503 ' HB ' ' CZ ' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -64.08 -34.07 66.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.05 -28.54 43.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.23 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.547 ' CD2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -54.14 -25.56 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.22 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.76 2.79 1.39 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.583 HG23 ' CE2' ' A' ' 22' ' ' TYR . 21.8 t -89.32 89.85 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -83.08 -15.7 49.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.51 98.93 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.406 1.066 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.3 pt -67.64 140.67 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 123.82 -96.3 0.53 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 58' ' ' LYS . 47.8 t0 -36.77 -30.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 54' ' ' GLY . 2.3 mtp180 -47.99 -34.4 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.605 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -68.48 -32.87 73.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.8 OUTLIER -60.73 -50.54 73.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.507 ' CD1' ' SG ' ' A' ' 19' ' ' CYS . 52.5 mt -63.73 -28.5 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.605 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -53.51 -40.92 65.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -76.61 -35.96 57.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.62 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 6.0 mptt -58.3 -50.21 74.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.504 ' HB2' ' O ' ' A' ' 37' ' ' ILE . 54.1 p -52.54 -31.67 36.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 66' ' ' PHE . 10.7 mttp -78.73 -24.25 44.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.593 1.183 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 46.0 m -49.08 -20.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.957 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.714 ' CZ ' ' CD1' ' A' ' 37' ' ' ILE . 93.5 m-85 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.538 ' CG2' HD13 ' B' ' 120' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 18.6 tm0? -62.69 -37.67 87.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -68.42 -28.94 67.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' PHE . . . . . 0.549 ' CE2' HD11 ' B' ' 120' ' ' ILE . 1.3 t80 -86.47 -45.35 11.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.631 HD23 ' CD2' ' B' ' 109' ' ' PHE . 4.5 mp -60.83 -28.74 69.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -68.96 -33.39 73.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 1.2 tp10 -69.77 -31.24 69.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.495 ' CG2' ' HG3' ' B' ' 145' ' ' LYS . 5.7 pt -96.4 -13.43 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.07 67.84 1.45 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' CYS . . . . . 0.622 ' HB3' ' CG ' ' B' ' 105' ' ' TYR . 56.7 m -138.05 40.24 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 27.8 m -59.46 -23.41 62.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . 0.647 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 19.9 pm0 -101.19 33.05 3.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.647 ' CE1' ' HG2' ' B' ' 104' ' ' GLN . 3.3 m-85 -128.17 1.13 5.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.462 ' C ' HD13 ' B' ' 110' ' ' ILE . 1.9 mp -56.58 -68.32 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.23 -18.32 60.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' SER . . . . . 0.443 ' C ' HD13 ' B' ' 131' ' ' LEU . 6.8 m -83.02 -39.83 20.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.06 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.633 ' N ' ' O ' ' B' ' 105' ' ' TYR . 2.3 m-85 -77.72 -40.85 39.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' ILE . . . . . 0.549 ' HA ' HG13 ' B' ' 115' ' ' VAL . 4.3 mt -64.01 -23.56 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -73.83 -51.2 17.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . 0.716 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 7.9 t -76.41 -27.64 56.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 108.225 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.716 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 21.2 m-20 103.75 53.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.627 ' HB3' ' CD2' ' B' ' 109' ' ' PHE . 0.8 OUTLIER -116.48 21.83 13.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.376 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . 0.565 ' CG2' ' O ' ' B' ' 115' ' ' VAL . 1.8 p -93.94 38.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 3.2 p -150.85 155.77 39.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 0.0 110.389 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.479 ' HB3' ' CE2' ' B' ' 149' ' ' PHE . 6.4 mp0 -89.14 39.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.503 ' HA ' ' HB3' ' B' ' 121' ' ' LYS . 1.9 tt0 -147.08 -46.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.329 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' B' ' 113' ' ' ASN . 0.1 OUTLIER -56.97 -48.09 79.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 110.374 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.635 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 3.6 pt -75.47 -13.04 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . 0.558 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 0.1 OUTLIER -76.99 -18.18 58.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -135.66 41.63 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.477 HD13 ' CG2' ' B' ' 127' ' ' ILE . 0.0 OUTLIER -119.22 159.28 24.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' ASP . . . . . 0.456 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -100.71 -173.43 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' LYS . . . . . 0.582 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 0.3 OUTLIER -89.59 -35.81 15.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' ASP . . . . . 0.599 ' CB ' ' CB ' ' A' ' 57' ' ' LEU . 0.8 OUTLIER -66.41 -21.7 66.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.477 ' CG2' HD13 ' B' ' 123' ' ' LEU . 0.2 OUTLIER -76.81 -40.37 31.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' B' ' 125' ' ' LYS . 3.6 pp -79.46 -44.94 20.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' ILE . . . . . 0.512 ' CG2' ' HA ' ' B' ' 126' ' ' ASP . 0.0 OUTLIER -48.89 -37.28 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -77.74 -27.83 50.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . 0.626 ' C ' ' CD2' ' B' ' 131' ' ' LEU . 0.0 OUTLIER -54.09 -27.74 34.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.357 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . 0.442 ' N ' ' CD2' ' B' ' 131' ' ' LEU . . . 132.43 21.83 0.91 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.565 1.165 . . . . 0.0 110.985 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.512 HG11 ' O ' ' B' ' 128' ' ' LEU . 2.3 p -120.62 75.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' B' ' 136' ' ' ILE . 13.9 p-10 -84.39 -16.68 41.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -40.89 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.49 ' CD1' HD13 ' A' ' 46' ' ' ILE . 1.1 mp -60.47 129.25 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 137' ' ' GLY . . . . . 0.512 ' H ' ' CG ' ' B' ' 139' ' ' ARG . . . 118.26 -97.22 0.71 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.555 1.159 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' B' ' 141' ' ' LYS . 20.1 m-20 -38.22 -31.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' ARG . . . . . 0.551 ' C ' ' OD1' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -47.31 -34.26 6.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . 0.642 ' HA ' ' CG ' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -72.94 -34.31 66.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.393 1.058 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' LYS . . . . . 0.491 ' CD ' ' C ' ' B' ' 141' ' ' LYS . 0.0 OUTLIER -56.77 -53.14 61.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 142' ' ' ILE . . . . . 0.52 ' CD1' ' SG ' ' B' ' 102' ' ' CYS . 14.0 mt -58.01 -36.23 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -64.07 -36.95 85.67 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -80.02 -47.11 15.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.363 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' LYS . . . . . 0.498 ' HB3' ' CZ ' ' B' ' 96' ' ' PHE . 1.2 mmtt -63.89 -35.64 81.32 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 146' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' B' ' 143' ' ' LEU . 3.1 p -52.3 -30.5 28.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.973 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 147' ' ' LYS . . . . . 0.476 ' C ' ' N ' ' B' ' 149' ' ' PHE . 6.6 mtpt -82.26 -15.49 52.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 148' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 71.5 m -44.69 -19.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.906 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 149' ' ' PHE . . . . . 0.635 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 89.7 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.486 ' O ' ' CD2' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 107.89 2.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.53 40.72 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.527 ' CG2' HD12 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -59.72 -21.4 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.476 ' CG ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -61.17 -33.67 73.8 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.404 1.065 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.55 -39.02 74.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.236 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.546 ' CD2' HD12 ' A' ' 14' ' ' LEU . 20.8 t80 -79.48 -43.0 24.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.645 ' CD2' ' CD2' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -64.48 -27.01 68.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 5.5 mt-10 -76.84 -25.3 53.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.522 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.19 -25.8 39.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.566 1.166 . . . . 0.0 110.247 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.522 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 15.2 pt -98.12 -11.44 8.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.71 67.62 1.48 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.128 . . . . 0.0 111.085 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.624 ' HB3' ' CG ' ' A' ' 22' ' ' TYR . 30.2 m -137.49 39.67 2.44 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 m -59.31 -23.85 62.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.563 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -101.38 31.46 3.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.665 ' CE2' HG13 ' A' ' 50' ' ' VAL . 16.6 m-85 -129.68 7.71 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.068 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -66.6 -66.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.99 -17.48 57.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.418 1.074 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.492 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -83.58 -47.78 10.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.35 1.031 . . . . 0.0 110.082 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.645 ' CD2' ' CD2' ' A' ' 14' ' ' LEU . 2.9 m-85 -67.77 -41.6 83.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.469 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 20.6 mt -62.37 -23.64 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -74.55 -45.82 43.02 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.701 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 28.8 t -82.89 -27.79 30.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 108.263 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.701 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 13.1 m-20 100.36 61.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.634 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 1.9 mm? -124.08 32.19 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.241 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.622 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 2.0 m -95.89 19.66 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.082 . . . . 0.0 109.239 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.418 ' OG1' ' HB2' ' A' ' 36' ' ' GLU . 1.1 p -126.34 156.81 39.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.485 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.532 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 24.3 mt-10 -87.35 35.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.23 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 10.5 pt-20 -147.43 -44.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 11.4 mm-40 -51.98 -44.33 63.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.7 HD13 ' CZ ' ' A' ' 66' ' ' PHE . 1.4 pt -75.71 -18.38 15.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HB2' ' CB ' ' A' ' 66' ' ' PHE . 6.6 ttpp -72.15 -17.15 61.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -130.25 41.7 3.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.639 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -118.33 164.66 14.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.539 ' HB3' ' CD2' ' B' ' 143' ' ' LEU . 0.0 OUTLIER -117.28 176.36 5.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.573 ' HG2' ' HG3' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -72.93 -37.86 67.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.784 ' HA ' ' CG2' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -63.1 -28.23 69.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -37.18 66.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.527 HD22 ' NH1' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -72.99 -54.15 9.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.072 . . . . 0.0 109.365 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.784 ' CG2' ' HA ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -53.38 -37.4 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.45 -27.14 56.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.611 ' CD2' ' CG1' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -61.9 -27.97 69.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.1 21.67 1.06 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.556 1.16 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.665 HG13 ' CE2' ' A' ' 22' ' ' TYR . 2.9 m -122.1 72.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.73 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -71.79 -13.63 61.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -48.28 99.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.239 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.455 ' CG2' HD13 ' B' ' 129' ' ' ILE . 37.3 mm -66.85 138.24 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 115.66 -95.21 0.69 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' GLY . 20.8 t70 -37.67 -31.18 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 0.797 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.527 ' NH1' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -49.55 -42.22 43.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.427 1.079 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.532 ' CA ' ' CG ' ' B' ' 126' ' ' ASP . 6.7 tt -63.62 -38.54 91.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 0.0 109.323 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -55.07 39.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.59 1.181 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.512 ' CG2' HD12 ' A' ' 45' ' ' LEU . 3.3 mt -54.9 -36.55 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.12 . . . . 0.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.509 ' CD2' ' HB3' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -61.12 -37.18 81.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -51.89 11.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 65' ' ' SER . 7.2 mmtt -61.26 -34.07 74.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 m -51.73 -36.39 46.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -76.85 -18.2 58.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 10.5 t -49.41 -17.23 0.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.459 1.099 . . . . 0.0 109.923 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.7 ' CZ ' HD13 ' A' ' 37' ' ' ILE . 86.8 m-85 -91.11 135.36 33.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -118.32 -65.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 158.51 42.64 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.467 1.772 . . . . 0.0 111.073 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -155.27 82.19 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER -57.12 -19.49 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -62.24 -41.59 98.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.51 ' O ' ' CG ' ' B' ' 98' ' ' GLU . 1.0 OUTLIER -68.26 -23.4 64.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' B' ' 145' ' ' LYS . 3.2 t80 -84.92 -43.2 14.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.553 ' HA ' ' CG1' ' B' ' 100' ' ' ILE . 72.8 mt -65.64 -26.34 67.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' B' ' 95' ' ' LEU . 0.9 OUTLIER -64.59 -32.84 74.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 2.3 tt0 -80.0 -33.72 39.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.339 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.553 ' CG1' ' HA ' ' B' ' 97' ' ' LEU . 9.3 pt -97.42 24.21 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.215 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' B' ' 100' ' ' ILE . . . 32.08 76.89 0.03 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . 0.585 ' HB3' ' CD1' ' B' ' 105' ' ' TYR . 67.4 m -142.12 45.54 1.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 23.0 m -60.8 -19.34 59.36 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.6 1.188 . . . . 0.0 110.34 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . 0.605 ' HG3' ' CE1' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -96.09 24.12 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.321 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.697 ' CE2' HG13 ' B' ' 133' ' ' VAL . 31.1 m-85 -128.29 20.6 6.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.446 ' O ' HG13 ' B' ' 110' ' ' ILE . 9.4 mp -79.81 -67.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.27 -17.32 63.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.168 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' SER . . . . . 0.429 ' C ' HD13 ' B' ' 131' ' ' LEU . 5.5 p -81.87 -39.08 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.711 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 2.9 m-85 -76.73 -38.3 54.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.487 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 80.2 mt -61.76 -24.23 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 0.0 109.396 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -81.24 -44.02 18.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . 0.676 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 8.2 t -78.59 -28.83 45.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 108.253 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.676 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 6.9 m-20 97.61 65.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.711 ' HB2' ' CD2' ' B' ' 109' ' ' PHE . 92.3 mt -133.3 32.6 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.599 ' CG2' ' O ' ' B' ' 115' ' ' VAL . 2.0 m -94.69 18.48 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 77.7 m -127.26 158.85 36.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.434 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.512 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 29.3 mt-10 -88.57 25.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -136.85 -44.48 0.58 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.25 -42.9 61.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.448 1.093 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.652 HD13 ' CZ ' ' B' ' 149' ' ' PHE . 0.4 OUTLIER -69.02 -30.38 46.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.553 1.158 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . 0.53 ' CB ' ' HB2' ' B' ' 149' ' ' PHE . 0.0 OUTLIER -83.94 -13.07 54.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.38 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' B' ' 118' ' ' GLU . 0.2 OUTLIER -119.33 41.14 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.786 ' CD1' ' C ' ' B' ' 123' ' ' LEU . 0.0 OUTLIER -144.23 -168.8 2.97 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.584 1.178 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . 0.522 ' N ' HD12 ' B' ' 123' ' ' LEU . 5.2 m-20 -121.27 -175.03 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.607 ' NZ ' ' HB3' ' B' ' 139' ' ' ARG . 0.0 OUTLIER -93.25 -33.78 13.82 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . 0.553 ' HA ' ' CG2' ' B' ' 129' ' ' ILE . 0.1 OUTLIER -61.28 -16.75 48.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.522 ' CG2' ' CD2' ' B' ' 123' ' ' LEU . 0.2 OUTLIER -76.33 -38.69 33.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.504 ' HA ' ' HB3' ' B' ' 131' ' ' LEU . 1.2 mt -63.35 -53.57 50.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.553 ' CG2' ' HA ' ' B' ' 126' ' ' ASP . 0.0 OUTLIER -52.39 -38.28 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . 0.447 ' N ' HD11 ' B' ' 129' ' ' ILE . . . -79.08 -28.33 43.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.605 ' CD2' ' CG1' ' B' ' 133' ' ' VAL . 0.0 OUTLIER -55.24 -28.04 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.339 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 130.29 22.13 1.12 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.552 1.157 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.697 HG13 ' CE2' ' B' ' 105' ' ' TYR . 3.4 m -119.73 77.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 109.314 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' B' ' 136' ' ' ILE . 8.5 p30 -76.14 -15.73 60.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.551 ' O ' ' CD ' ' B' ' 139' ' ' ARG . 10.9 mtpt -46.9 90.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' B' ' 134' ' ' ASN . 85.0 mt -57.61 134.53 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.433 1.083 . . . . 0.0 109.218 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' B' ' 140' ' ' LEU . . . 117.36 -94.6 0.63 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' B' ' 137' ' ' GLY . 1.7 m-20 -37.35 -34.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 0.731 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . 0.607 ' HB3' ' NZ ' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -49.33 -39.41 31.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.342 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . 0.582 ' O ' ' HB3' ' B' ' 143' ' ' LEU . 3.8 tt -66.91 -35.9 81.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . 0.429 ' HE2' ' CA ' ' B' ' 100' ' ' ILE . 0.0 OUTLIER -59.94 -53.38 58.54 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . 0.404 ' O ' ' OG ' ' B' ' 146' ' ' SER . 4.0 mt -55.6 -34.23 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.582 ' HB3' ' O ' ' B' ' 140' ' ' LEU . 0.2 OUTLIER -55.62 -44.82 77.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -76.57 -40.78 48.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' B' ' 148' ' ' SER . 36.1 mmtt -61.89 -40.89 96.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' B' ' 120' ' ' ILE . 29.7 m -52.74 -34.04 50.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 110.024 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . 0.467 ' C ' ' N ' ' B' ' 149' ' ' PHE . 63.8 mttt -79.32 -16.58 56.13 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 27.9 t -43.09 -22.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' PHE . . . . . 0.652 ' CZ ' HD13 ' B' ' 120' ' ' ILE . 42.1 m-85 -92.38 124.02 36.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 111.052 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -100.42 -23.26 14.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 0.0 110.349 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.594 ' O ' ' CE2' ' A' ' 9' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' C ' ' CD2' ' A' ' 9' ' ' PHE . 18.5 Cg_endo -74.92 -175.63 2.45 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.421 1.748 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -160.21 115.51 2.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -21.1 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 27.6 tt0 -62.48 -38.54 90.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 1.072 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -70.4 -39.61 74.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.234 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 9.8 t80 -74.33 -38.15 63.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.938 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.653 HD23 ' CE2' ' A' ' 26' ' ' PHE . 11.3 mt -67.19 -33.76 76.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 20' ' ' THR . 2.7 mt-10 -72.02 -25.11 61.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.21 -29.47 38.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.588 1.18 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.516 HG21 ' CG ' ' A' ' 62' ' ' LYS . 6.8 pt -96.93 -9.09 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.413 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . 83.96 77.38 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.573 ' HB3' ' CG ' ' A' ' 22' ' ' TYR . 66.1 m -153.8 37.95 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.468 ' CG2' ' HG2' ' A' ' 15' ' ' GLU . 73.3 p -58.33 -24.73 60.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.612 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 5.5 pm0 -101.7 36.11 2.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.612 ' CE1' ' HG2' ' A' ' 21' ' ' GLN . 5.0 m-85 -130.51 4.66 4.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 111.058 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 27' ' ' ILE . 9.2 mp -59.64 -66.85 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.372 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.93 -18.49 60.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.476 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 1.8 m -81.02 -47.97 12.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.031 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.713 ' CZ ' ' CD2' ' A' ' 45' ' ' LEU . 3.8 m-85 -71.45 -39.92 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.492 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 36.7 mt -63.38 -23.68 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -76.94 -41.49 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.672 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 53.9 t -83.15 -28.63 29.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 108.25 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.672 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 13.0 m-20 98.55 53.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.531 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 1.1 mm? -119.02 33.43 5.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.587 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 2.0 m -94.57 18.89 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.31 159.3 32.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.366 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.585 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 18.9 mt-10 -91.29 34.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.218 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 8.4 mt-10 -148.13 -44.96 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -53.66 -39.94 65.48 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.595 1.185 . . . . 0.0 110.227 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.687 HD13 ' CZ ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -69.02 -28.9 41.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.494 ' CB ' ' HB2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -83.9 -13.45 53.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.05 44.63 1.9 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.543 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -141.87 -169.33 2.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.522 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . 28.3 m-20 -115.68 -174.47 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.571 ' CG ' ' HG2' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -82.71 -43.47 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.667 ' CG ' ' HB2' ' B' ' 140' ' ' LEU . 5.6 t70 -64.36 -25.81 68.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.077 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.522 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 1.4 mp -56.65 -40.06 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.713 ' CD2' ' CZ ' ' A' ' 26' ' ' PHE . 1.1 mt -79.41 -49.06 12.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.165 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.563 ' CD1' ' NH2' ' B' ' 139' ' ' ARG . 0.4 OUTLIER -55.64 -38.02 48.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 43' ' ' ASP . . . -78.14 -24.65 47.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.639 ' CD1' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -53.89 -30.32 45.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.455 ' N ' ' CD2' ' A' ' 48' ' ' LEU . . . 147.36 -11.42 1.35 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.357 1.035 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.608 HG11 ' O ' ' A' ' 45' ' ' LEU . 2.3 p -87.3 83.84 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -82.04 -17.78 45.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -51.78 98.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.24 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.545 ' CG2' HD11 ' B' ' 129' ' ' ILE . 30.9 mt -62.2 136.61 25.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 117.99 -94.71 0.61 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.593 1.183 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' GLY . 2.0 m-20 -37.28 -30.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 0.798 . . . . 0.0 109.293 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.55 ' NH2' HG12 ' B' ' 129' ' ' ILE . 6.9 mtp180 -47.85 -50.84 25.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HB2' ' CG ' ' B' ' 126' ' ' ASP . 5.5 tt -50.85 -45.24 59.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -53.9 -53.29 54.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.244 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.46 ' CD1' ' SG ' ' A' ' 19' ' ' CYS . 31.7 mt -55.04 -39.84 51.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -63.63 -33.97 76.8 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.53 -45.52 30.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.516 ' CG ' HG21 ' A' ' 17' ' ' ILE . 17.7 mmtm -61.53 -39.61 91.66 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 51.0 m -51.93 -32.79 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.085 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -76.78 -19.68 57.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 46.9 m -53.22 -16.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.687 ' CZ ' HD13 ' A' ' 37' ' ' ILE . 97.0 m-85 -92.86 124.19 36.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 8.1 mt-30 -118.51 -81.64 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.134 . . . . 0.0 110.236 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 95.63 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' B' ' 95' ' ' LEU . 0.1 OUTLIER -149.43 52.18 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 111.007 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.578 ' CG2' ' O ' ' B' ' 114' ' ' LEU . 0.4 OUTLIER -57.81 -24.19 22.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.424 1.077 . . . . 0.0 109.361 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.78 -40.6 97.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.526 ' O ' ' CG ' ' B' ' 98' ' ' GLU . 0.2 OUTLIER -64.85 -25.63 67.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' B' ' 145' ' ' LYS . 6.1 t80 -87.45 -43.14 12.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' B' ' 101' ' ' GLY . 18.3 mt -61.58 -24.58 66.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.239 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -69.72 -31.82 70.03 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 6.9 tp10 -80.58 -27.93 37.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.399 1.062 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.487 ' HB ' ' CD ' ' B' ' 141' ' ' LYS . 0.3 OUTLIER -95.2 -17.89 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.236 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' B' ' 97' ' ' LEU . . . 81.37 66.86 1.57 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . 0.67 ' HB3' ' CG ' ' B' ' 105' ' ' TYR . 61.1 m -143.41 40.71 1.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 3.0 m -58.78 -21.6 56.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . 0.546 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 18.8 pm0 -102.79 34.74 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.67 ' CG ' ' HB3' ' B' ' 102' ' ' CYS . 6.1 m-85 -128.84 3.48 5.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.513 ' O ' HG13 ' B' ' 110' ' ' ILE . 3.8 mm? -63.02 -65.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.226 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.35 -16.85 9.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' SER . . . . . 0.52 ' HB3' ' CD2' ' B' ' 131' ' ' LEU . 0.4 OUTLIER -90.66 -39.83 12.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 110.004 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.739 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 3.4 m-85 -76.27 -37.87 56.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.513 HG13 ' O ' ' B' ' 106' ' ' LEU . 57.0 mt -60.72 -24.76 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.215 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -81.02 -45.52 16.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . 0.688 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 42.2 t -72.49 -27.4 62.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.155 . . . . 0.0 108.257 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.688 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 10.5 m-20 99.46 45.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.739 ' HB2' ' CD2' ' B' ' 109' ' ' PHE . 68.7 mt -116.65 40.36 2.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.64 ' CG2' ' O ' ' B' ' 115' ' ' VAL . 0.5 OUTLIER -101.22 12.25 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 6.0 p -123.6 161.63 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.458 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.511 ' HB3' ' CE2' ' B' ' 149' ' ' PHE . 27.6 mt-10 -89.89 31.21 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.25 -45.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.33 -44.22 54.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.696 HD13 ' CZ ' ' B' ' 149' ' ' PHE . 0.6 OUTLIER -74.15 -25.87 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.4 1.062 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . 0.534 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 4.6 ttpm? -68.18 -17.65 64.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -130.36 39.36 3.65 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.555 ' CD1' ' CD1' ' B' ' 114' ' ' LEU . 0.3 OUTLIER -121.75 175.31 6.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.237 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . 0.53 ' HB3' HD23 ' A' ' 60' ' ' LEU . 68.8 m-20 -122.38 -168.25 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.234 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.819 ' NZ ' ' HE ' ' B' ' 139' ' ' ARG . 0.0 OUTLIER -87.91 -38.27 15.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.187 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . 0.591 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 6.2 t70 -62.63 -19.64 63.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.408 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -76.22 -40.35 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' B' ' 125' ' ' LYS . 0.4 OUTLIER -77.11 -42.1 39.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.55 HG12 ' NH2' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -59.28 -39.77 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . 0.447 ' N ' HD12 ' B' ' 129' ' ' ILE . . . -78.53 -26.22 45.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 109.379 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.635 ' CD1' ' CD1' ' B' ' 109' ' ' PHE . 0.0 OUTLIER -55.61 -29.53 59.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.586 1.179 . . . . 0.0 109.33 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 133.26 22.59 0.79 Allowed Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.652 HG13 ' CE2' ' B' ' 105' ' ' TYR . 2.5 m -121.5 79.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.382 0.696 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' B' ' 136' ' ' ILE . 15.1 p30 -76.32 -16.7 59.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.495 ' O ' ' HD3' ' B' ' 139' ' ' ARG . 21.3 mttp -46.51 91.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.397 1.061 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' B' ' 134' ' ' ASN . 3.8 mt -58.48 128.45 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . 0.653 ' O ' ' N ' ' B' ' 140' ' ' LEU . . . 123.74 -96.01 0.53 Allowed Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.447 1.092 . . . . 0.0 111.049 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' B' ' 141' ' ' LYS . 1.4 m-20 -36.39 -50.91 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 0.73 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . 0.819 ' HE ' ' NZ ' ' B' ' 125' ' ' LYS . 0.1 OUTLIER -44.54 -28.06 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . 0.667 ' HB2' ' CG ' ' A' ' 43' ' ' ASP . 2.5 tt -68.23 -53.96 21.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . 0.556 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -53.51 -35.88 61.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . 0.556 ' N ' ' HG3' ' B' ' 141' ' ' LYS . 9.8 mt -56.23 -49.38 76.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' B' ' 140' ' ' LEU . 0.8 OUTLIER -61.39 -30.03 70.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.241 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -51.66 9.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' LYS . . . . . 0.528 ' HB3' ' CE1' ' B' ' 96' ' ' PHE . 0.8 OUTLIER -66.5 -28.79 68.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' SER . . . . . 0.431 ' N ' ' O ' ' B' ' 142' ' ' ILE . 17.5 m -54.0 -31.73 51.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . 0.469 ' C ' ' N ' ' B' ' 149' ' ' PHE . 2.0 mtpt -78.66 -15.95 57.88 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 35.6 t -46.62 -19.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.987 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' PHE . . . . . 0.696 ' CZ ' HD13 ' B' ' 120' ' ' ILE . 94.0 m-85 -91.43 137.31 32.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -119.91 -45.79 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.466 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 3.9 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.557 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 18.2 Cg_endo -75.01 143.5 29.09 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 8' ' ' PRO . 22.8 m-85 -146.31 67.99 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.598 ' CG2' ' O ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -57.65 -23.41 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -62.81 -40.84 98.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.439 ' C ' ' CD2' ' A' ' 12' ' ' LEU . 3.3 tt -71.83 -24.85 61.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.629 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 31.4 t80 -80.11 -41.63 25.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.55 HD23 ' CE2' ' A' ' 26' ' ' PHE . 4.8 mt -68.81 -30.68 69.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.03 -35.49 81.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.432 1.082 . . . . 0.0 110.248 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -80.45 -32.47 37.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.509 ' CG2' ' HG3' ' A' ' 62' ' ' LYS . 2.1 pt -99.13 25.9 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.348 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' ILE . . . 34.01 83.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.533 1.145 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.503 ' HB3' ' CG ' ' A' ' 22' ' ' TYR . 48.6 m -153.37 32.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -55.39 -18.91 7.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.493 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 7.7 pt20 -98.93 29.08 3.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.622 ' O ' ' N ' ' A' ' 26' ' ' PHE . 9.6 m-85 -128.35 1.53 5.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' O ' HG13 ' A' ' 27' ' ' ILE . 2.7 mm? -63.52 -65.45 0.68 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.378 1.048 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -16.41 17.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.512 ' HB3' ' CG ' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -91.26 -41.91 10.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.374 1.046 . . . . 0.0 109.927 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.718 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 2.4 m-85 -70.21 -40.33 74.63 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.633 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 29.1 mt -62.97 -24.27 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -75.54 -46.67 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.701 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 39.7 t -79.0 -29.19 43.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 108.292 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.701 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 22.4 m-20 101.36 56.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.598 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 1.3 mm? -120.3 35.61 4.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.406 1.066 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.633 ' CG1' ' HA ' ' A' ' 27' ' ' ILE . 0.8 OUTLIER -98.17 21.25 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.418 1.074 . . . . 0.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.1 m -133.15 161.12 35.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.448 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 66' ' ' PHE . 35.1 mt-10 -89.71 22.85 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -132.27 -44.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 110.362 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 0.2 OUTLIER -53.79 -44.49 70.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.66 HD13 ' CZ ' ' A' ' 66' ' ' PHE . 1.2 pt -72.95 -18.59 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.551 ' HB2' ' HB2' ' A' ' 66' ' ' PHE . 5.6 tttm -77.7 -17.34 57.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.402 1.064 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -123.43 42.08 3.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.402 1.064 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -134.9 156.88 48.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.371 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.46 ' CB ' HD23 ' B' ' 143' ' ' LEU . 2.7 m-20 -100.32 -160.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.686 ' CB ' ' NZ ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -93.54 -42.22 9.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.634 ' O ' HG21 ' A' ' 46' ' ' ILE . 8.0 t0 -61.8 -29.68 70.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 mp -60.68 -37.2 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 109.27 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.718 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -81.27 -41.15 22.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.634 HG21 ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -49.54 -38.55 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.453 ' N ' HG22 ' A' ' 46' ' ' ILE . . . -78.18 -25.52 47.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.601 ' CD2' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -58.77 -28.84 66.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.231 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.58 -5.91 2.64 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 3.0 p -94.05 72.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 0.0 109.391 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -77.59 -17.09 58.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' NZ ' ' HB3' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -51.3 102.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.0 mt -64.9 134.15 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.258 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 121.22 -94.89 0.55 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.479 1.112 . . . . 0.0 111.052 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 54' ' ' GLY . 2.8 m-20 -35.24 -32.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.571 ' NH2' ' CD1' ' B' ' 129' ' ' ILE . 2.5 ttp-105 -48.07 -32.1 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.261 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.621 ' HB2' ' CB ' ' B' ' 126' ' ' ASP . 0.2 OUTLIER -70.71 -34.48 71.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.594 ' HG3' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.07 -51.27 70.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.594 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 27.7 mt -63.2 -24.16 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.223 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.563 ' CD1' ' HD2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -65.53 -41.82 92.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -41.34 46.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.629 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 40.7 mmtt -61.68 -45.2 95.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 37' ' ' ILE . 4.3 p -50.45 -30.44 12.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.125 . . . . 0.0 110.058 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -79.98 -22.51 42.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 62' ' ' LYS . 53.0 m -41.85 -25.05 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.66 ' CZ ' HD13 ' A' ' 37' ' ' ILE . 41.8 m-85 -93.38 124.99 37.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.92 -30.32 6.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.081 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.403 ' N ' ' HD3' ' B' ' 91' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . 0.544 ' C ' ' CG ' ' B' ' 92' ' ' PHE . 18.5 Cg_endo -74.87 -89.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.472 1.775 . . . . 0.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . 0.544 ' CG ' ' C ' ' B' ' 91' ' ' PRO . 0.1 OUTLIER -159.7 125.22 4.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 111.073 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.633 ' CG2' ' CD1' ' B' ' 120' ' ' ILE . 0.4 OUTLIER -57.17 -22.7 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.401 1.063 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . 0.467 ' HG2' ' CD1' ' B' ' 106' ' ' LEU . 61.3 mt-30 -62.64 -42.64 99.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.373 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.52 ' O ' ' HG3' ' B' ' 98' ' ' GLU . 2.6 tm? -66.02 -24.69 66.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . 0.587 ' CE1' ' CG2' ' B' ' 100' ' ' ILE . 2.8 t80 -87.97 -43.69 11.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.624 HD23 ' CD2' ' B' ' 109' ' ' PHE . 0.6 OUTLIER -60.11 -24.01 64.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -73.71 -32.5 63.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 4.0 tt0 -78.91 -25.01 43.75 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.587 ' CG2' ' CE1' ' B' ' 96' ' ' PHE . 0.6 OUTLIER -95.44 -15.97 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.84 67.49 1.51 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.422 1.076 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . 0.61 ' HB3' ' CG ' ' B' ' 105' ' ' TYR . 93.8 m -139.32 37.06 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 60.6 p -57.32 -24.97 58.43 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.532 1.145 . . . . 0.0 110.489 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . 0.585 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 1.4 pm0 -102.78 35.82 2.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.61 ' CG ' ' HB3' ' B' ' 102' ' ' CYS . 6.5 m-85 -128.98 3.48 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.517 ' O ' HG13 ' B' ' 110' ' ' ILE . 0.1 OUTLIER -61.82 -65.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.4 -16.04 20.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' SER . . . . . 0.482 ' HB3' ' CD2' ' B' ' 131' ' ' LEU . 12.4 m -89.29 -47.96 7.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.624 ' CD2' HD23 ' B' ' 97' ' ' LEU . 2.6 m-85 -68.38 -40.52 81.38 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.6 1.187 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.517 HG13 ' O ' ' B' ' 106' ' ' LEU . 14.8 mt -65.01 -23.67 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -72.45 -51.97 17.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . 0.655 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 33.4 t -81.49 -27.44 34.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.417 1.073 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.655 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 1.6 m-20 96.52 63.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.658 ' HB3' ' CG2' ' B' ' 120' ' ' ILE . 0.5 OUTLIER -115.82 17.5 16.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.339 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' B' ' 115' ' ' VAL . 1.3 p -109.32 51.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.234 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' THR . . . . . 0.46 ' O ' ' N ' ' B' ' 118' ' ' GLU . 19.6 m -138.21 20.1 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.547 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 19.0 mt-10 34.1 36.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.246 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' B' ' 116' ' ' THR . 16.8 tt0 -155.7 -44.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -37.43 78.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.703 HD13 ' CZ ' ' B' ' 149' ' ' PHE . 0.5 OUTLIER -67.61 -26.05 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . 0.522 ' CB ' ' HB2' ' B' ' 149' ' ' PHE . 1.3 pttt -85.35 -13.76 48.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.407 1.067 . . . . 0.0 109.25 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -116.69 42.81 2.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.579 ' HG ' ' HA ' ' B' ' 120' ' ' ILE . 0.1 OUTLIER -143.48 -169.32 3.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . 0.561 ' HB3' HD23 ' A' ' 60' ' ' LEU . 30.3 m-20 -121.93 -171.81 2.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.582 ' CB ' ' HD3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -85.98 -34.58 20.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . 0.621 ' CB ' ' HB2' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -64.87 -27.2 68.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.441 ' CG2' HD21 ' B' ' 123' ' ' LEU . 1.1 mp -67.99 -37.73 78.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' B' ' 124' ' ' ASP . 1.9 mm? -69.13 -52.99 22.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.571 ' CD1' ' NH2' ' A' ' 56' ' ' ARG . 2.3 pp -60.71 -32.11 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . 0.441 ' N ' HD13 ' B' ' 129' ' ' ILE . . . -78.2 -29.36 48.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.601 ' C ' ' CD2' ' B' ' 131' ' ' LEU . 0.0 OUTLIER -58.08 -27.22 63.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . 0.423 ' N ' ' CD2' ' B' ' 131' ' ' LEU . . . 133.53 37.72 0.23 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.57 1.169 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.607 HG23 ' CE2' ' B' ' 105' ' ' TYR . 4.4 t -123.51 74.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.45 0.735 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . 0.504 ' HA ' ' NH2' ' B' ' 139' ' ' ARG . 2.0 m-20 -66.65 -17.31 64.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' B' ' 139' ' ' ARG . 23.9 mttp -54.68 97.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 109.25 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.501 ' HA ' ' CD ' ' B' ' 139' ' ' ARG . 66.4 mt -66.78 129.8 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . 0.531 ' O ' ' OD1' ' A' ' 43' ' ' ASP . . . 117.96 -97.11 0.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' B' ' 141' ' ' LYS . 1.0 OUTLIER -36.59 -34.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.744 . . . . 0.0 109.334 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . 0.511 ' HD3' ' NZ ' ' B' ' 125' ' ' LYS . 4.4 ptp180 -45.86 -34.55 3.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . 0.603 ' HB3' ' OD1' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -75.88 -34.54 60.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . 0.539 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -52.86 -43.93 66.44 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . 0.539 ' N ' ' HG3' ' B' ' 141' ' ' LYS . 84.5 mt -63.79 -43.34 97.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.394 1.059 . . . . 0.0 109.222 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.478 ' CB ' ' HB2' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -57.5 -26.87 61.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -50.72 8.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' B' ' 148' ' ' SER . 0.1 OUTLIER -64.81 -31.5 72.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' B' ' 143' ' ' LEU . 1.5 p -51.19 -31.73 21.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 109.997 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' B' ' 149' ' ' PHE . 36.4 mtmt -79.15 -17.65 54.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.42 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' SER . . . . . 0.508 ' N ' ' O ' ' B' ' 145' ' ' LYS . 48.7 m -50.73 -18.5 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.956 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' PHE . . . . . 0.703 ' CZ ' HD13 ' B' ' 120' ' ' ILE . 87.9 m-85 -91.76 -175.08 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.066 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . 0.447 ' O ' ' O ' ' B' ' 149' ' ' PHE . 3.2 mt-30 -37.26 -93.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.369 1.043 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.236 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 90.78 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.79 59.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.514 ' CG1' ' HA ' ' A' ' 32' ' ' VAL . 0.5 OUTLIER -58.08 -19.97 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 57.6 mt-30 -61.63 -41.08 96.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.62 -39.18 67.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.592 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 6.9 t80 -71.88 -41.33 68.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.619 HD23 ' CZ ' ' A' ' 26' ' ' PHE . 10.5 mt -65.08 -37.77 88.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 3.1 mt-10 -70.04 -34.8 73.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -29.05 68.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 110.232 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.471 HG22 ' CE ' ' A' ' 62' ' ' LYS . 19.2 pt -96.92 -9.38 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.92 73.1 1.26 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.439 1.087 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.595 ' HB3' ' CG ' ' A' ' 22' ' ' TYR . 97.8 m -146.65 36.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.437 ' OG1' ' CG ' ' A' ' 15' ' ' GLU . 3.7 m -57.66 -22.52 46.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 3.3 pt20 -101.83 34.61 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.075 . . . . 0.0 110.338 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.595 ' CG ' ' HB3' ' A' ' 19' ' ' CYS . 7.3 m-85 -129.17 5.4 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.452 ' O ' HG13 ' A' ' 27' ' ' ILE . 20.9 mt -57.11 -68.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -64.97 -17.87 64.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.541 ' C ' HD13 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -78.61 -55.45 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.722 ' CD2' ' HB2' ' A' ' 31' ' ' LEU . 1.7 m-85 -66.01 -39.26 90.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.5 HG12 ' CG2' ' A' ' 32' ' ' VAL . 49.4 mt -62.47 -24.39 35.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -74.69 -39.24 62.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.639 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 18.1 t -89.2 -28.46 19.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.639 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 3.1 m-20 95.09 55.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.722 ' HB2' ' CD2' ' A' ' 26' ' ' PHE . 14.0 mt -113.18 22.85 13.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.514 ' HA ' ' CG1' ' A' ' 10' ' ' VAL . 5.0 t -94.28 37.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -139.66 143.9 37.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.628 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 30.8 mt-10 -80.32 17.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -131.05 -46.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 2.3 mm-40 -58.87 -42.5 89.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.718 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 2.3 pt -73.53 -18.93 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.553 ' HB2' ' CB ' ' A' ' 66' ' ' PHE . 1.5 ttpm? -85.65 -16.5 38.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -123.88 44.4 2.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.587 ' CD1' ' CD1' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -129.72 175.22 9.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 1.5 m-20 -103.53 175.52 5.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.757 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -84.23 -31.79 24.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.583 ' HB3' ' CG ' ' B' ' 140' ' ' LEU . 0.3 OUTLIER -79.41 -15.51 57.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.183 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.494 HD13 ' CD1' ' B' ' 140' ' ' LEU . 0.1 OUTLIER -72.4 -39.55 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' A' ' 42' ' ' LYS . 2.8 pp -70.49 -49.67 45.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.558 ' CG2' ' NZ ' ' B' ' 125' ' ' LYS . 0.8 OUTLIER -50.46 -35.6 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.523 ' N ' HG13 ' A' ' 46' ' ' ILE . . . -77.96 -27.39 49.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.71 HD23 ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -53.38 -29.26 33.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.404 1.065 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.21 -14.65 1.67 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.152 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.547 ' O ' ' HD2' ' A' ' 56' ' ' ARG . 2.2 p -86.05 75.98 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -79.44 -15.31 58.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.414 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 19.8 mtpp -48.75 98.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.475 HG21 ' CD1' ' B' ' 129' ' ' ILE . 57.4 mt -62.39 131.91 27.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 120.45 -96.5 0.62 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.552 1.157 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' GLY . 15.2 t70 -36.29 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.624 ' NH2' ' CD1' ' B' ' 129' ' ' ILE . 2.4 mtp180 -47.12 -35.1 6.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.6 1.188 . . . . 0.0 110.357 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.595 ' HB2' ' CB ' ' B' ' 126' ' ' ASP . 10.0 tt -63.69 -36.21 83.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -61.89 -54.94 35.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.447 ' CG2' HD22 ' A' ' 45' ' ' LEU . 45.2 mt -58.0 -28.83 34.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.589 ' CD1' ' HB3' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -62.22 -40.88 97.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.1 mmt-85 -77.89 -40.37 40.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.231 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.592 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 23.4 mmtm -58.31 -43.28 88.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 37' ' ' ILE . 89.0 p -51.29 -37.82 49.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -78.94 -18.5 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 10.2 t -47.06 -19.2 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.611 1.195 . . . . 0.0 110.021 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.718 ' CZ ' ' CD1' ' A' ' 37' ' ' ILE . 91.0 m-85 -91.32 121.51 33.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 111.052 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.99 -145.57 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.313 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.272 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.551 1.816 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.3 51.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.523 ' HB ' ' HA ' ' B' ' 115' ' ' VAL . 0.5 OUTLIER -58.73 -20.49 16.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -60.81 -40.34 92.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.498 ' O ' ' HG3' ' B' ' 98' ' ' GLU . 2.1 tm? -68.61 -23.9 64.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . 0.506 ' CE2' ' HE1' ' B' ' 149' ' ' PHE . 4.1 t80 -85.34 -43.77 13.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.54 HD23 ' CE2' ' B' ' 109' ' ' PHE . 64.9 mt -62.8 -27.63 69.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -70.25 -31.93 69.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.494 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 5.8 tt0 -77.97 -26.91 49.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.316 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.497 ' O ' ' CE ' ' B' ' 141' ' ' LYS . 1.0 OUTLIER -96.09 -20.2 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 97' ' ' LEU . . . 80.45 67.26 1.57 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . 0.603 ' HB3' ' CG ' ' B' ' 105' ' ' TYR . 91.3 m -142.31 44.64 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -60.76 -17.94 51.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -102.18 31.87 3.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.673 ' CD2' HG12 ' B' ' 133' ' ' VAL . 11.9 m-85 -129.14 1.87 5.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.454 ' O ' HG13 ' B' ' 110' ' ' ILE . 9.4 mp -67.45 -60.58 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.48 -18.06 10.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' SER . . . . . 0.508 ' HB2' ' CD2' ' B' ' 131' ' ' LEU . 0.0 OUTLIER -94.4 -39.22 10.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.675 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 2.6 m-85 -73.52 -39.31 64.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.605 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 45.8 mt -61.31 -25.0 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -80.2 -43.87 20.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . 0.651 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 32.2 t -75.61 -29.04 59.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 108.326 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.651 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 4.2 m-20 95.01 49.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.675 ' HB2' ' CD2' ' B' ' 109' ' ' PHE . 85.2 mt -114.81 30.88 7.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.605 ' CG1' ' HA ' ' B' ' 110' ' ' ILE . 1.2 m -95.61 21.61 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 44.2 p -125.86 157.59 37.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 110.363 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.503 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 25.0 mt-10 -89.69 32.79 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' B' ' 121' ' ' LYS . 1.8 mp0 -143.32 -44.79 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.421 ' HA ' ' CD1' ' B' ' 122' ' ' TYR . 1.7 mt-10 -53.11 -44.16 67.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.679 HD13 ' CZ ' ' B' ' 149' ' ' PHE . 0.6 OUTLIER -76.17 -18.91 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . 0.496 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 21.8 ttpp -72.65 -17.38 61.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.714 ' O ' ' CG ' ' B' ' 122' ' ' TYR . 0.6 OUTLIER -134.34 37.52 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.537 HD11 ' CG2' ' B' ' 127' ' ' ILE . 0.0 OUTLIER -116.87 166.45 12.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.371 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . 0.589 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -113.29 -169.73 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.643 ' HG2' ' HG3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -91.21 -38.6 12.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.318 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . 0.606 ' HA ' ' CG1' ' B' ' 129' ' ' ILE . 2.4 t70 -55.96 -28.28 56.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.537 ' CG2' HD11 ' B' ' 123' ' ' LEU . 0.7 OUTLIER -72.32 -37.67 59.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.625 ' CB ' ' CZ ' ' B' ' 139' ' ' ARG . 0.5 OUTLIER -68.46 -57.13 6.3 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.624 ' CD1' ' NH2' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -50.89 -36.47 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.7 -27.06 55.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.62 ' C ' ' CD2' ' B' ' 131' ' ' LEU . 0.0 OUTLIER -62.19 -26.74 68.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.192 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . 0.41 ' N ' ' CD2' ' B' ' 131' ' ' LEU . . . 129.96 17.38 1.66 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.673 HG12 ' CD2' ' B' ' 105' ' ' TYR . 31.6 m -122.09 71.66 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.804 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' B' ' 136' ' ' ILE . 15.5 t30 -71.62 -13.67 61.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' B' ' 139' ' ' ARG . 34.8 mttp -40.77 97.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' B' ' 134' ' ' ASN . 8.8 mt -68.03 128.96 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' B' ' 138' ' ' ASP . . . 122.71 -98.89 0.63 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.546 ' O ' ' CG ' ' B' ' 141' ' ' LYS . 12.4 t70 -37.56 -35.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . 0.625 ' CZ ' ' CB ' ' B' ' 128' ' ' LEU . 0.0 OUTLIER -48.39 -31.66 6.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.259 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . 0.583 ' CG ' ' HB3' ' A' ' 43' ' ' ASP . 7.2 tt -68.25 -35.0 77.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . 0.671 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -61.95 -42.37 99.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . 0.671 ' N ' ' HG3' ' B' ' 141' ' ' LYS . 9.6 mt -64.75 -35.22 74.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.55 ' C ' ' CD1' ' B' ' 143' ' ' LEU . 0.3 OUTLIER -64.71 -34.74 79.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.15 -49.58 10.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' B' ' 148' ' ' SER . 10.2 mttp -63.68 -33.01 74.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' B' ' 142' ' ' ILE . 4.4 m -52.86 -32.75 46.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . 0.476 ' C ' ' N ' ' B' ' 149' ' ' PHE . 3.8 ptpt -80.09 -15.94 56.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 67.8 m -43.13 -21.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.048 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' PHE . . . . . 0.679 ' CZ ' HD13 ' B' ' 120' ' ' ILE . 87.2 m-85 -90.67 133.61 35.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' B' ' 151' ' ' ARG . 6.0 pt20 -119.75 -148.69 0.42 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' ARG . . . . . 0.424 ' N ' ' HG3' ' B' ' 150' ' ' GLN . 2.0 ptt-85 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 88.4 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -145.75 48.46 1.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -59.04 -21.43 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.93 -36.91 84.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tt -70.09 -37.83 75.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 10.8 t80 -76.83 -40.21 48.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.679 HD23 ' CE2' ' A' ' 26' ' ' PHE . 7.4 mt -65.51 -37.26 86.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -66.57 -24.87 66.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -81.24 -28.99 34.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.355 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.524 HG21 ' CD ' ' A' ' 62' ' ' LYS . 5.7 pt -97.1 -10.73 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 14' ' ' LEU . . . 83.29 67.63 1.46 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.423 1.077 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.581 ' HB3' ' CG ' ' A' ' 22' ' ' TYR . 56.1 m -143.97 38.95 1.33 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 t -59.7 -20.24 55.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.408 1.068 . . . . 0.0 110.443 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.616 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 18.5 pm0 -101.03 30.92 3.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.698 ' CE2' ' CG1' ' A' ' 50' ' ' VAL . 6.5 m-85 -127.44 3.12 6.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 mt -56.79 -68.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -63.63 -18.7 64.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.514 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 3.8 m -78.86 -52.32 8.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.073 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.679 ' CE2' HD23 ' A' ' 14' ' ' LEU . 2.4 m-85 -68.26 -38.72 82.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.511 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 33.1 mt -65.17 -23.53 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -72.89 -54.49 8.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.245 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.614 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 32.1 t -67.73 -59.49 3.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 108.289 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 11.3 p30 146.18 40.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.633 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 1.4 mm? -112.64 51.14 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.614 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 0.5 OUTLIER -111.12 11.34 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.8 m -126.29 178.37 5.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.482 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.525 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 28.1 mt-10 -105.54 43.05 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.4 -46.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.95 -42.27 65.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.292 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.731 HD13 ' CZ ' ' A' ' 66' ' ' PHE . 0.8 OUTLIER -73.42 -18.07 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.523 ' HB2' ' HB2' ' A' ' 66' ' ' PHE . 21.8 ttpp -75.49 -17.41 60.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -130.99 44.49 2.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.637 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -121.0 169.82 10.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.206 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.52 ' N ' HD13 ' A' ' 40' ' ' LEU . 51.6 m-20 -121.29 161.0 22.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.643 ' HG2' ' CG ' ' B' ' 125' ' ' LYS . 2.5 tttt -65.0 -41.25 95.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.635 ' CB ' ' HB3' ' B' ' 140' ' ' LEU . 2.7 t70 -62.18 -23.53 66.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.53 -35.05 31.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.529 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 1.4 mt -77.44 -51.03 11.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.566 HD12 ' CD1' ' B' ' 136' ' ' ILE . 0.2 OUTLIER -48.81 -38.63 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.11 -26.5 53.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.348 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.575 ' CD2' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -59.53 -26.92 65.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 129.66 19.49 1.47 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.698 ' CG1' ' CE2' ' A' ' 22' ' ' TYR . 27.7 m -122.16 74.46 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.532 ' O ' ' C ' ' A' ' 52' ' ' LYS . 3.0 m-80 -69.2 -14.78 63.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -30.44 96.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 51' ' ' ASN . 2.0 mt -72.89 120.99 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 119.13 -93.24 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 54' ' ' GLY . 18.0 t0 -34.98 -31.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 54' ' ' GLY . 23.8 mtm180 -45.87 -33.86 3.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.668 ' HB2' ' CG ' ' B' ' 126' ' ' ASP . 0.6 OUTLIER -63.02 -43.67 98.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.618 1.199 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.44 -51.94 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' SG ' ' A' ' 19' ' ' CYS . 4.5 mt -55.05 -29.84 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -67.01 -42.59 84.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -75.46 -49.2 19.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 65' ' ' SER . 23.8 mmtm -58.42 -37.38 75.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 2.6 m -53.32 -37.54 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.464 ' C ' ' N ' ' A' ' 66' ' ' PHE . 2.5 mtmp? -78.01 -17.7 56.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 13.7 t -45.24 -19.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.731 ' CZ ' HD13 ' A' ' 37' ' ' ILE . 97.0 m-85 -92.71 141.45 28.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 68' ' ' ARG . 2.3 pt20 -121.44 -147.9 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.242 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 73.53 4.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.771 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.41 52.1 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.175 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.605 ' CG2' ' CD1' ' B' ' 120' ' ' ILE . 0.4 OUTLIER -58.39 -19.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.375 1.047 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -42.21 97.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' B' ' 98' ' ' GLU . 0.9 OUTLIER -64.93 -24.52 67.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' B' ' 145' ' ' LYS . 2.3 t80 -85.35 -40.1 16.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.541 ' HA ' ' CG1' ' B' ' 100' ' ' ILE . 95.7 mt -61.99 -26.67 68.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -64.38 -33.83 76.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 47.5 tt0 -79.79 -33.92 40.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.552 HG21 ' CB ' ' B' ' 145' ' ' LYS . 4.9 pt -97.33 25.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' B' ' 100' ' ' ILE . . . 32.38 79.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.128 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . 0.555 ' HB3' ' CG ' ' B' ' 105' ' ' TYR . 31.1 m -139.72 38.4 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 7.5 m -58.69 -20.99 53.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.367 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . 0.59 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 4.6 pm0 -100.95 32.0 3.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.623 ' O ' ' N ' ' B' ' 109' ' ' PHE . 9.1 m-85 -128.42 0.93 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.426 ' O ' HG13 ' B' ' 110' ' ' ILE . 5.5 mt -53.52 -70.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.5 -16.35 62.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' SER . . . . . 0.48 ' HB3' ' CD2' ' B' ' 131' ' ' LEU . 1.9 m -81.44 -39.72 24.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.639 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 2.6 m-85 -85.24 -35.45 21.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.439 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 37.4 mt -64.13 -25.78 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -82.72 -49.91 9.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.157 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . 0.657 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 52.0 t -69.03 -30.78 69.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 108.303 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.657 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 3.4 m-20 96.03 43.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.181 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.639 ' HB2' ' CD2' ' B' ' 109' ' ' PHE . 34.6 mt -103.88 16.06 27.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.522 ' HA ' ' CG1' ' B' ' 93' ' ' VAL . 1.9 p -106.96 50.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' THR . . . . . 0.48 ' O ' ' N ' ' B' ' 118' ' ' GLU . 17.3 p -138.36 18.8 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.45 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.5 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 14.7 mt-10 34.6 34.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.536 ' O ' ' CG ' ' B' ' 121' ' ' LYS . 18.0 tp10 -150.35 -45.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -57.59 -38.12 74.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.308 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.709 HD13 ' CZ ' ' B' ' 149' ' ' PHE . 0.5 OUTLIER -70.47 -26.2 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . 0.603 ' CB ' ' HB2' ' B' ' 149' ' ' PHE . 0.0 OUTLIER -72.54 -15.22 61.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.31 33.68 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.561 ' CD1' ' CD1' ' B' ' 114' ' ' LEU . 0.2 OUTLIER -122.5 179.86 4.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . 0.463 ' N ' ' HG ' ' B' ' 123' ' ' LEU . 0.2 OUTLIER -121.07 -161.59 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.643 ' CG ' ' HG2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -93.74 -35.48 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . 0.668 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 32.9 t0 -65.99 -29.14 69.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.464 ' CG2' HD12 ' B' ' 123' ' ' LEU . 1.2 mp -58.52 -33.1 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.521 ' HA ' ' HB3' ' B' ' 131' ' ' LEU . 3.3 mm? -70.98 -48.27 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.576 HG22 ' O ' ' B' ' 126' ' ' ASP . 0.2 OUTLIER -50.93 -41.04 21.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.23 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.57 -30.01 59.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.521 ' HB3' ' HA ' ' B' ' 128' ' ' LEU . 0.1 OUTLIER -61.5 -28.92 69.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 127.78 42.08 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.541 ' O ' ' NE ' ' B' ' 139' ' ' ARG . 59.2 t -121.65 88.59 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -81.28 -17.84 47.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.461 ' HD2' ' OH ' ' B' ' 105' ' ' TYR . 7.1 ptpp? -67.48 98.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.566 ' CD1' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -68.61 138.11 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . 0.464 ' O ' ' OD1' ' A' ' 43' ' ' ASP . . . 118.65 -98.42 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' B' ' 137' ' ' GLY . 4.6 m-20 -37.73 -33.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . 0.615 HH11 ' NZ ' ' B' ' 125' ' ' LYS . 19.9 ttm180 -47.02 -32.04 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . 0.635 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -75.38 -37.78 60.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . 0.579 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -52.58 -42.63 64.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . 0.579 ' N ' ' HG3' ' B' ' 141' ' ' LYS . 96.5 mt -63.43 -43.42 98.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.519 ' CD1' ' HB3' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -58.07 -28.63 64.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -53.99 6.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' LYS . . . . . 0.552 ' CB ' HG21 ' B' ' 100' ' ' ILE . 0.4 OUTLIER -65.53 -28.82 69.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' SER . . . . . 0.478 ' HB2' ' CD2' ' B' ' 123' ' ' LEU . 88.2 p -51.54 -32.72 29.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . 0.462 ' C ' ' N ' ' B' ' 149' ' ' PHE . 6.7 mtmt -78.73 -17.21 56.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 68.4 m -45.82 -20.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.016 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' PHE . . . . . 0.709 ' CZ ' HD13 ' B' ' 120' ' ' ILE . 78.8 m-85 -92.47 125.7 37.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -117.11 -144.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.467 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 7' ' ' LEU . 18.4 Cg_endo -75.05 137.68 21.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.051 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.64 54.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.633 ' CG2' ' CD1' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -58.19 -19.95 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -61.62 -39.79 92.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.06 -34.38 76.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.617 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 3.6 t80 -80.4 -36.58 33.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.64 HD23 ' CE2' ' A' ' 26' ' ' PHE . 20.1 mt -70.5 -24.82 62.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -68.13 -39.72 82.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -31.62 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.505 HG23 ' CG ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -97.53 26.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' ILE . . . 35.58 88.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.115 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.575 ' SG ' ' CG ' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -141.58 33.94 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 m -57.57 -37.55 73.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.434 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.401 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 6.7 pm0 -96.85 29.86 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.606 ' CE2' HG23 ' A' ' 50' ' ' VAL . 36.5 m-85 -128.53 -0.24 5.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.432 ' O ' HG13 ' A' ' 27' ' ' ILE . 9.6 mp -66.86 -62.61 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.49 -18.23 38.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.524 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -88.69 -40.62 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.64 ' CE2' HD23 ' A' ' 14' ' ' LEU . 2.7 m-85 -72.5 -39.5 67.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.457 ' CG1' HG21 ' A' ' 32' ' ' VAL . 14.1 mt -65.22 -24.55 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -71.75 -50.67 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.657 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 35.0 t -81.13 -28.58 35.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.254 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.657 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 12.5 m-20 96.48 64.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.682 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 1.1 mm? -117.26 20.8 13.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.514 ' HA ' ' CG1' ' A' ' 10' ' ' VAL . 1.1 t -108.96 48.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.597 1.186 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 35' ' ' GLU . 3.8 m -136.34 17.36 3.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 0.0 110.396 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 20.2 mt-10 34.89 33.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 18.1 tt0 -147.9 -45.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.98 -39.8 86.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.297 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.724 HD13 ' CZ ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -68.79 -18.89 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.619 ' CB ' ' HB2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -83.97 -14.4 50.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.85 43.86 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -134.58 171.8 13.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -98.75 -173.06 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.388 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.603 ' CG ' ' CG ' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -92.78 -40.96 10.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.526 ' O ' HG13 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -62.66 -19.16 63.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -67.16 -34.32 68.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.367 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.506 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 2.9 mm? -71.89 -50.1 32.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.552 HG13 ' N ' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -53.26 -36.31 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.552 ' N ' HG13 ' A' ' 46' ' ' ILE . . . -80.34 -29.62 38.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.524 ' CD2' ' HB3' ' A' ' 25' ' ' SER . 0.0 OUTLIER -53.46 -28.16 28.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 135.65 38.9 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.606 HG23 ' CE2' ' A' ' 22' ' ' TYR . 6.6 t -123.69 91.53 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -81.47 -16.65 51.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -72.08 97.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 56' ' ' ARG . 1.6 pt -71.0 118.27 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 145.43 -94.52 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 54' ' ' GLY . 7.0 m-20 -35.57 -33.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 0.788 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 54' ' ' GLY . 3.4 mtp180 -48.66 -33.45 9.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.699 ' HB2' ' CB ' ' B' ' 126' ' ' ASP . 0.2 OUTLIER -63.86 -40.86 97.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.565 ' HG3' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -56.75 -49.84 74.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.372 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.565 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 83.2 mt -60.85 -35.59 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -56.23 -39.53 72.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -46.43 21.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.246 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.617 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 32.2 mmtt -60.43 -38.89 85.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 59' ' ' ILE . 56.2 m -50.67 -37.49 41.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.443 ' C ' ' N ' ' A' ' 66' ' ' PHE . 3.0 mppt? -79.18 -19.09 51.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 11.0 t -48.88 -18.49 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.724 ' CZ ' HD13 ' A' ' 37' ' ' ILE . 94.5 m-85 -93.14 121.37 34.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -103.32 -85.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.241 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 136.34 20.1 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.18 40.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.484 ' CG2' HD12 ' B' ' 120' ' ' ILE . 0.5 OUTLIER -58.17 -20.38 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -62.64 -40.79 98.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' B' ' 98' ' ' GLU . 0.4 OUTLIER -65.27 -23.83 67.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . 0.601 ' CD2' HD11 ' B' ' 120' ' ' ILE . 12.8 t80 -84.63 -42.18 15.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.528 ' HA ' ' CG1' ' B' ' 100' ' ' ILE . 30.1 mt -63.88 -25.38 68.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 1.4 pp20? -64.28 -34.53 78.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 3.1 tt0 -80.33 -35.47 35.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.551 ' CG2' ' HD2' ' B' ' 145' ' ' LYS . 19.1 pt -97.06 22.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' B' ' 100' ' ' ILE . . . 30.33 81.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.412 1.07 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . 0.578 ' HB3' ' CG ' ' B' ' 105' ' ' TYR . 32.7 m -137.32 43.49 2.32 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 54.9 m -59.54 -19.1 45.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . 0.586 ' HG2' ' CD1' ' B' ' 105' ' ' TYR . 1.7 pt20 -98.31 27.73 4.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.743 ' CE2' HG23 ' B' ' 133' ' ' VAL . 20.0 m-85 -129.0 2.06 5.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.46 -66.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -72.21 -15.56 61.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' SER . . . . . 0.482 ' OG ' ' HA ' ' B' ' 105' ' ' TYR . 0.8 OUTLIER -78.93 -48.67 14.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.927 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.667 ' CD2' ' CB ' ' B' ' 114' ' ' LEU . 1.7 m-85 -70.33 -35.03 73.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.968 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.471 ' HA ' HG22 ' B' ' 115' ' ' VAL . 83.7 mt -64.96 -23.28 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -80.81 -48.41 12.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.567 1.167 . . . . 0.0 110.339 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . 0.632 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 12.8 t -76.9 -28.86 55.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.632 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 7.2 m-20 94.31 66.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.667 ' CB ' ' CD2' ' B' ' 109' ' ' PHE . 2.3 mt -126.41 23.36 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.477 ' HA ' ' HB ' ' B' ' 93' ' ' VAL . 18.1 t -93.12 36.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.52 157.27 45.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.559 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 10.7 mp0 -89.0 32.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' B' ' 121' ' ' LYS . 0.3 OUTLIER -143.52 -47.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -41.93 93.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.731 ' CD1' ' CZ ' ' B' ' 149' ' ' PHE . 1.7 pt -73.68 -18.1 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . 0.506 ' HB2' ' HB2' ' B' ' 149' ' ' PHE . 5.4 tptt -75.26 -18.29 60.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' B' ' 122' ' ' TYR . 76.0 t80 -128.85 45.06 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' B' ' 120' ' ' ILE . 0.0 OUTLIER -114.46 165.19 13.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . 0.484 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -121.83 -169.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.603 ' CG ' ' CG ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -91.35 -36.83 13.62 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.638 1.211 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . 0.699 ' CB ' ' HB2' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -62.35 -40.83 97.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.465 HD13 ' CD2' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -67.14 -33.69 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.532 ' HB3' ' CG ' ' B' ' 139' ' ' ARG . 6.3 tp -73.58 -55.04 6.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.55 ' CG1' ' HA ' ' B' ' 126' ' ' ASP . 2.8 pp -54.28 -34.98 28.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . 0.444 ' N ' HD11 ' B' ' 129' ' ' ILE . . . -78.28 -26.11 46.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.605 ' CD2' HG21 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -60.67 -25.34 66.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 143.45 -7.04 1.99 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.743 HG23 ' CE2' ' B' ' 105' ' ' TYR . 13.9 t -88.86 64.01 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -59.23 -16.66 22.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.814 ' O ' ' NH1' ' B' ' 139' ' ' ARG . 7.4 mttm -74.77 88.39 2.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.52 ' HB ' ' CD1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -60.69 141.63 16.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' B' ' 139' ' ' ARG . . . 131.62 -92.58 0.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.595 ' CB ' ' NH2' ' B' ' 139' ' ' ARG . 0.2 OUTLIER -35.08 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . 0.814 ' NH1' ' O ' ' B' ' 135' ' ' LYS . 0.0 OUTLIER -51.33 -33.47 29.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . 0.518 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 5.3 tp -62.62 -37.42 86.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -52.06 65.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' B' ' 146' ' ' SER . 1.3 mt -59.84 -25.98 34.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.464 ' O ' ' OG ' ' B' ' 146' ' ' SER . 1.3 mt -63.54 -41.45 98.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.631 1.207 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -78.19 -46.8 19.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' LYS . . . . . 0.568 ' HB3' ' CZ ' ' B' ' 96' ' ' PHE . 6.1 mmtp -63.71 -37.2 86.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' B' ' 142' ' ' ILE . 10.3 p -53.24 -31.06 41.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.888 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . 0.47 ' C ' ' N ' ' B' ' 149' ' ' PHE . 1.0 OUTLIER -79.03 -17.72 54.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 8.9 t -46.63 -19.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.165 . . . . 0.0 109.966 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' PHE . . . . . 0.731 ' CZ ' ' CD1' ' B' ' 120' ' ' ILE . 97.0 m-85 -92.17 169.72 10.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -59.8 1.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 86.0 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.427 1.751 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.75 39.87 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.053 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.588 ' CG2' ' CD1' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -58.65 -20.64 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -62.93 -39.63 95.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.437 ' C ' ' CD1' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -72.53 -33.98 67.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.629 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 1.8 t80 -80.39 -39.37 28.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.633 HD23 ' CZ ' ' A' ' 26' ' ' PHE . 10.8 mt -64.66 -40.0 94.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -72.61 -24.6 61.1 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 9.1 tt0 -77.5 -27.0 51.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.505 HD13 ' CD2' ' A' ' 14' ' ' LEU . 50.2 pt -96.8 -6.32 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.8 67.96 1.43 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.543 1.152 . . . . 0.0 111.075 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.518 ' SG ' ' CD1' ' A' ' 59' ' ' ILE . 97.5 m -147.87 34.59 0.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 m -57.9 -22.01 46.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.589 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 8.0 pm0 -102.28 34.18 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.589 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 10.0 m-85 -129.21 8.72 5.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 27' ' ' ILE . 16.0 mt -63.24 -66.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.58 -18.87 33.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.511 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -84.06 -44.4 14.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.948 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.633 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 2.4 m-85 -76.55 -34.99 58.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.459 ' CG1' HG22 ' A' ' 32' ' ' VAL . 36.2 mt -67.47 -25.3 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -71.91 -51.26 23.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.654 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 34.6 t -79.54 -30.3 41.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 108.32 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.654 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 1.6 t30 97.24 63.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.692 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 1.0 OUTLIER -115.63 19.68 15.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.546 ' HA ' ' CG1' ' A' ' 10' ' ' VAL . 0.7 OUTLIER -107.11 45.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 34' ' ' GLU . 38.3 p -132.17 16.13 4.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.585 1.178 . . . . 0.0 110.357 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.56 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 25.0 mt-10 33.42 40.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.486 ' CB ' ' HE2' ' A' ' 38' ' ' LYS . 10.0 mt-10 -157.19 -45.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 3.9 mm-40 -60.1 -38.99 84.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.403 1.064 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.711 HD13 ' CZ ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -64.24 -25.35 37.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.524 ' CB ' ' HB2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -83.79 -13.33 54.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -118.54 42.23 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.166 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.643 ' HG ' ' HA ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -147.96 -168.15 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.225 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.461 ' N ' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -119.26 177.26 4.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.619 ' CG ' ' HB3' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -89.38 -35.77 15.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.256 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.548 ' OD1' ' CB ' ' B' ' 139' ' ' ARG . 5.4 t70 -64.48 -17.81 64.2 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.547 HD13 ' CD1' ' B' ' 140' ' ' LEU . 0.2 OUTLIER -73.5 -36.71 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.628 ' CD2' ' CE1' ' A' ' 26' ' ' PHE . 1.7 mt -64.1 -41.57 97.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.467 HG12 ' CZ ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -48.59 -37.13 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.454 ' N ' HG23 ' A' ' 46' ' ' ILE . . . -79.49 -30.75 42.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.571 ' CD2' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -54.7 -27.1 38.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 138.56 4.54 1.63 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.515 HG21 ' CD2' ' A' ' 48' ' ' LEU . 3.0 t -86.73 77.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -78.98 -17.48 55.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -69.76 98.25 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.428 ' HA ' ' NH2' ' A' ' 56' ' ' ARG . 2.1 pt -68.7 129.88 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 129.73 -95.17 0.35 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' GLY . 1.8 m-20 -35.78 -31.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.585 0.815 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 54' ' ' GLY . 4.0 mtm-85 -47.84 -33.54 7.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.597 ' HB2' ' CB ' ' B' ' 126' ' ' ASP . 6.0 tt -63.62 -36.12 82.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -61.56 -53.47 55.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.518 ' CD1' ' SG ' ' A' ' 19' ' ' CYS . 21.8 mt -57.57 -29.39 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.58 ' HB2' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.84 -42.01 98.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -76.97 -41.56 42.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.629 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 70.5 mmtt -61.53 -41.24 97.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.237 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.455 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 50.8 m -52.12 -34.76 45.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.042 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 60' ' ' LEU . 23.6 mttt -81.31 -17.52 48.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 18.4 t -53.74 -16.47 1.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.711 ' CZ ' HD13 ' A' ' 37' ' ' ILE . 97.3 m-85 -92.0 -179.97 5.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.414 ' C ' ' HD2' ' A' ' 38' ' ' LYS . 9.2 mt-30 -64.67 -169.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 68' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.474 ' O ' ' CE2' ' B' ' 92' ' ' PHE . 1.6 tp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . 0.495 ' CB ' HD23 ' B' ' 95' ' ' LEU . 18.2 Cg_endo -75.02 143.56 29.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.536 1.808 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . 0.551 ' N ' ' CD1' ' B' ' 92' ' ' PHE . 0.1 OUTLIER -152.91 -169.04 3.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.609 ' CG2' ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER -57.84 -23.66 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . 0.471 ' CG ' HD12 ' B' ' 106' ' ' LEU . 0.0 OUTLIER -62.96 -41.1 99.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.503 ' O ' ' HG3' ' B' ' 98' ' ' GLU . 0.2 OUTLIER -65.54 -24.77 67.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . 0.636 ' CD2' HD11 ' B' ' 120' ' ' ILE . 6.7 t80 -86.59 -43.36 12.74 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.135 . . . . 0.0 111.065 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' B' ' 101' ' ' GLY . 97.0 mt -61.98 -24.92 67.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.4 OUTLIER -71.75 -31.44 66.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.363 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 1.8 tp10 -81.19 -26.09 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.406 ' HB ' ' HD2' ' B' ' 141' ' ' LYS . 0.4 OUTLIER -96.52 -20.15 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 97' ' ' LEU . . . 80.3 66.89 1.61 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . 0.603 ' HB3' ' CG ' ' B' ' 105' ' ' TYR . 32.4 m -140.27 45.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 47.3 m -60.28 -18.52 49.76 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . 0.478 ' HG2' ' CD1' ' B' ' 105' ' ' TYR . 0.9 OUTLIER -101.55 30.86 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.603 ' CG ' ' HB3' ' B' ' 102' ' ' CYS . 24.3 m-85 -129.01 2.96 5.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.471 HD12 ' CG ' ' B' ' 94' ' ' GLN . 4.5 mm? -62.19 -65.19 0.73 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.37 -19.18 61.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' SER . . . . . 0.541 ' O ' ' CG ' ' B' ' 111' ' ' GLN . 0.3 OUTLIER -85.99 -34.82 20.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.022 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.659 ' CD2' ' HB3' ' B' ' 114' ' ' LEU . 2.3 m-85 -81.65 -27.7 33.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.652 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 89.7 mt -71.01 -26.37 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' B' ' 108' ' ' SER . 6.5 pt20 -82.16 -37.0 26.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . 0.691 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 17.2 t -81.45 -29.34 33.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 108.275 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.691 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 18.0 m-20 99.16 42.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.659 ' HB3' ' CD2' ' B' ' 109' ' ' PHE . 0.2 OUTLIER -108.43 35.58 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.652 ' CG1' ' HA ' ' B' ' 110' ' ' ILE . 0.8 OUTLIER -98.39 21.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' THR . . . . . 0.543 ' CG2' ' HB2' ' B' ' 119' ' ' GLU . 3.2 t -135.96 172.32 13.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.521 ' HB3' ' CE2' ' B' ' 149' ' ' PHE . 23.4 mt-10 -100.51 39.11 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -144.62 -48.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.543 ' HB2' ' CG2' ' B' ' 116' ' ' THR . 0.6 OUTLIER -59.69 -40.27 87.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.777 ' CD1' ' CZ ' ' B' ' 149' ' ' PHE . 1.7 pt -72.46 -18.36 18.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . 0.496 ' HB2' ' HB2' ' B' ' 149' ' ' PHE . 10.5 ttpt -76.94 -22.43 53.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.64 42.36 2.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.445 HD11 ' CD1' ' B' ' 128' ' ' LEU . 0.2 OUTLIER -119.04 158.59 25.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . 0.552 ' HB3' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -120.95 -176.74 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.619 ' HB3' ' CG ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -73.0 -35.24 66.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . 0.597 ' CB ' ' HB2' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -63.51 -33.48 75.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.415 HG21 ' HB2' ' B' ' 123' ' ' LEU . 0.4 OUTLIER -67.06 -35.57 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.584 ' HA ' ' HB3' ' B' ' 131' ' ' LEU . 0.7 OUTLIER -74.03 -53.21 10.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.463 HG21 ' O ' ' B' ' 126' ' ' ASP . 2.4 tt -54.19 -39.37 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.91 -28.72 35.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.584 ' HB3' ' HA ' ' B' ' 128' ' ' LEU . 0.0 OUTLIER -57.24 -27.71 62.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 140.11 -11.07 3.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.107 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.579 HG11 ' CE2' ' B' ' 105' ' ' TYR . 14.4 m -88.93 65.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . 0.4 ' HA ' HG12 ' B' ' 129' ' ' ILE . 12.8 p30 -55.66 -16.19 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.535 ' O ' ' NH2' ' B' ' 139' ' ' ARG . 0.1 OUTLIER -64.95 96.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.434 ' CD1' HD12 ' A' ' 46' ' ' ILE . 13.1 pt -68.37 145.09 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . 0.549 ' O ' ' N ' ' B' ' 139' ' ' ARG . . . 121.54 -90.01 0.44 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.462 1.101 . . . . 0.0 111.081 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' B' ' 137' ' ' GLY . 0.2 OUTLIER -34.52 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' B' ' 137' ' ' GLY . 0.0 OUTLIER -46.12 -35.7 5.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . 0.547 ' CD1' HD13 ' A' ' 44' ' ' ILE . 2.8 tt -65.33 -37.64 87.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . 0.612 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -61.64 -51.09 69.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.176 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . 0.612 ' N ' ' HG3' ' B' ' 141' ' ' LYS . 38.3 mt -65.5 -17.72 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' B' ' 140' ' ' LEU . 0.2 OUTLIER -69.02 -39.84 79.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -77.19 -47.24 20.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 110.25 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' LYS . . . . . 0.533 ' HB3' ' CE1' ' B' ' 96' ' ' PHE . 5.3 mmtt -61.76 -40.5 95.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 143' ' ' LEU . 17.9 p -52.9 -31.0 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.396 1.06 . . . . 0.0 110.05 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . 0.457 ' C ' ' N ' ' B' ' 149' ' ' PHE . 0.0 OUTLIER -79.18 -18.72 52.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 50.1 m -44.28 -23.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 0.0 109.965 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' PHE . . . . . 0.777 ' CZ ' ' CD1' ' B' ' 120' ' ' ILE . 68.7 m-85 -93.56 126.11 38.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -104.9 -25.71 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.377 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.453 ' CB ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.541 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 18.1 Cg_endo -75.0 117.47 4.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.406 1.74 . . . . 0.0 110.974 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.541 ' CD1' ' O ' ' A' ' 8' ' ' PRO . 25.6 m-85 -146.68 87.36 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -58.39 -19.65 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -62.4 -40.05 95.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tt -71.11 -36.06 72.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.62 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 64.1 t80 -77.03 -42.39 38.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.073 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.634 HD23 ' CZ ' ' A' ' 26' ' ' PHE . 11.6 mt -68.55 -25.05 64.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -77.78 -39.17 44.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 13' ' ' PHE . 2.2 pt-20 -69.85 -23.65 63.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.209 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.509 HG12 ' HA ' ' A' ' 14' ' ' LEU . 5.8 pt -96.15 -15.79 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.89 70.41 1.35 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.613 ' HB3' ' CG ' ' A' ' 22' ' ' TYR . 18.6 m -147.86 35.62 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -54.65 -21.28 10.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.527 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -101.23 34.73 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.613 ' CG ' ' HB3' ' A' ' 19' ' ' CYS . 8.2 m-85 -129.74 3.73 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.98 -63.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.92 -18.58 57.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.549 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -86.37 -35.85 19.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 3.5 m-85 -84.18 -29.84 26.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.574 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 41.7 mt -70.51 -25.81 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.549 ' CG ' ' O ' ' A' ' 25' ' ' SER . 9.2 pt20 -79.79 -39.26 31.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 1.07 . . . . 0.0 110.366 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.673 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 48.3 t -80.48 -31.55 37.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 108.318 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.673 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 50.4 t30 98.42 49.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.228 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.547 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -116.11 33.25 5.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 0.0 109.279 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.574 ' CG1' ' HA ' ' A' ' 27' ' ' ILE . 0.8 OUTLIER -95.57 21.31 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.363 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -134.95 166.22 23.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.482 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 23.8 mt-10 -95.17 36.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 3.7 tt0 -143.22 -48.5 0.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 55.8 mm-40 -55.15 -39.97 70.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.365 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.714 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -71.05 -29.59 37.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 2.9 ptpt -81.6 -11.98 58.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -117.91 35.91 4.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.521 ' CD2' ' O ' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -141.63 -175.88 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.483 ' HB3' ' CD2' ' B' ' 143' ' ' LEU . 0.0 OUTLIER -114.51 -169.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.56 ' CG ' ' HB3' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -97.84 -30.38 12.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.642 ' CG ' ' HA ' ' B' ' 140' ' ' LEU . 2.4 m-20 -62.84 -32.31 73.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.575 ' CD1' ' CD1' ' B' ' 140' ' ' LEU . 1.1 mp -64.6 -32.47 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.581 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -62.34 -44.09 97.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.503 ' HB ' ' CZ ' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -64.08 -34.07 66.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.05 -28.54 43.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.23 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.547 ' CD2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -54.14 -25.56 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.22 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.76 2.79 1.39 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.583 HG23 ' CE2' ' A' ' 22' ' ' TYR . 21.8 t -89.32 89.85 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -83.08 -15.7 49.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.51 98.93 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.406 1.066 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.3 pt -67.64 140.67 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 123.82 -96.3 0.53 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 58' ' ' LYS . 47.8 t0 -36.77 -30.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 54' ' ' GLY . 2.3 mtp180 -47.99 -34.4 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.605 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -68.48 -32.87 73.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.8 OUTLIER -60.73 -50.54 73.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.507 ' CD1' ' SG ' ' A' ' 19' ' ' CYS . 52.5 mt -63.73 -28.5 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.605 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -53.51 -40.92 65.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -76.61 -35.96 57.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.62 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 6.0 mptt -58.3 -50.21 74.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.504 ' HB2' ' O ' ' A' ' 37' ' ' ILE . 54.1 p -52.54 -31.67 36.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 66' ' ' PHE . 10.7 mttp -78.73 -24.25 44.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.593 1.183 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 46.0 m -49.08 -20.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.957 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.714 ' CZ ' ' CD1' ' A' ' 37' ' ' ILE . 93.5 m-85 -95.55 166.76 11.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -61.03 -138.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.371 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . 0.535 ' CD ' ' CD1' ' B' ' 95' ' ' LEU . 18.0 Cg_endo -75.02 -64.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.553 1.817 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' B' ' 94' ' ' GLN . 0.0 OUTLIER -158.48 -175.8 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.943 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.538 ' CG2' HD13 ' B' ' 120' ' ' ILE . 0.4 OUTLIER -58.81 -21.58 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . 0.565 ' HB3' ' CD1' ' B' ' 92' ' ' PHE . 18.6 tm0? -62.69 -37.67 87.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -68.42 -28.94 67.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' PHE . . . . . 0.549 ' CE2' HD11 ' B' ' 120' ' ' ILE . 1.3 t80 -86.47 -45.35 11.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.631 HD23 ' CD2' ' B' ' 109' ' ' PHE . 4.5 mp -60.83 -28.74 69.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -68.96 -33.39 73.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 1.2 tp10 -69.77 -31.24 69.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.495 ' CG2' ' HG3' ' B' ' 145' ' ' LYS . 5.7 pt -96.4 -13.43 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.07 67.84 1.45 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' CYS . . . . . 0.622 ' HB3' ' CG ' ' B' ' 105' ' ' TYR . 56.7 m -138.05 40.24 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 27.8 m -59.46 -23.41 62.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . 0.647 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 19.9 pm0 -101.19 33.05 3.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.647 ' CE1' ' HG2' ' B' ' 104' ' ' GLN . 3.3 m-85 -128.17 1.13 5.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.462 ' C ' HD13 ' B' ' 110' ' ' ILE . 1.9 mp -56.58 -68.32 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.23 -18.32 60.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' SER . . . . . 0.443 ' C ' HD13 ' B' ' 131' ' ' LEU . 6.8 m -83.02 -39.83 20.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.06 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.633 ' N ' ' O ' ' B' ' 105' ' ' TYR . 2.3 m-85 -77.72 -40.85 39.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.549 ' HA ' HG13 ' B' ' 115' ' ' VAL . 4.3 mt -64.01 -23.56 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -73.83 -51.2 17.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . 0.716 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 7.9 t -76.41 -27.64 56.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 108.225 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.716 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 21.2 m-20 103.75 53.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.627 ' HB3' ' CD2' ' B' ' 109' ' ' PHE . 0.8 OUTLIER -116.48 21.83 13.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.376 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . 0.565 ' CG2' ' O ' ' B' ' 115' ' ' VAL . 1.8 p -93.94 38.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 3.2 p -150.85 155.77 39.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 0.0 110.389 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.479 ' HB3' ' CE2' ' B' ' 149' ' ' PHE . 6.4 mp0 -89.14 39.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.503 ' HA ' ' HB3' ' B' ' 121' ' ' LYS . 1.9 tt0 -147.08 -46.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.329 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' B' ' 113' ' ' ASN . 0.1 OUTLIER -56.97 -48.09 79.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 110.374 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.635 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 3.6 pt -75.47 -13.04 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . 0.558 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 0.1 OUTLIER -76.99 -18.18 58.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -135.66 41.63 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.477 HD13 ' CG2' ' B' ' 127' ' ' ILE . 0.0 OUTLIER -119.22 159.28 24.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . 0.456 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -100.71 -173.43 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' LYS . . . . . 0.582 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 0.3 OUTLIER -89.59 -35.81 15.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . 0.599 ' CB ' ' CB ' ' A' ' 57' ' ' LEU . 0.8 OUTLIER -66.41 -21.7 66.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.477 ' CG2' HD13 ' B' ' 123' ' ' LEU . 0.2 OUTLIER -76.81 -40.37 31.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' B' ' 125' ' ' LYS . 3.6 pp -79.46 -44.94 20.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ILE . . . . . 0.512 ' CG2' ' HA ' ' B' ' 126' ' ' ASP . 0.0 OUTLIER -48.89 -37.28 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -77.74 -27.83 50.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.626 ' C ' ' CD2' ' B' ' 131' ' ' LEU . 0.0 OUTLIER -54.09 -27.74 34.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.357 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . 0.442 ' N ' ' CD2' ' B' ' 131' ' ' LEU . . . 132.43 21.83 0.91 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.565 1.165 . . . . 0.0 110.985 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.512 HG11 ' O ' ' B' ' 128' ' ' LEU . 2.3 p -120.62 75.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' B' ' 136' ' ' ILE . 13.9 p-10 -84.39 -16.68 41.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -40.89 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.49 ' CD1' HD13 ' A' ' 46' ' ' ILE . 1.1 mp -60.47 129.25 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . 0.512 ' H ' ' CG ' ' B' ' 139' ' ' ARG . . . 118.26 -97.22 0.71 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.555 1.159 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' B' ' 141' ' ' LYS . 20.1 m-20 -38.22 -31.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . 0.551 ' C ' ' OD1' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -47.31 -34.26 6.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . 0.642 ' HA ' ' CG ' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -72.94 -34.31 66.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.393 1.058 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . 0.491 ' CD ' ' C ' ' B' ' 141' ' ' LYS . 0.0 OUTLIER -56.77 -53.14 61.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' ILE . . . . . 0.52 ' CD1' ' SG ' ' B' ' 102' ' ' CYS . 14.0 mt -58.01 -36.23 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -64.07 -36.95 85.67 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -80.02 -47.11 15.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.363 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' LYS . . . . . 0.498 ' HB3' ' CZ ' ' B' ' 96' ' ' PHE . 1.2 mmtt -63.89 -35.64 81.32 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' B' ' 143' ' ' LEU . 3.1 p -52.3 -30.5 28.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.973 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' LYS . . . . . 0.476 ' C ' ' N ' ' B' ' 149' ' ' PHE . 6.6 mtpt -82.26 -15.49 52.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 71.5 m -44.69 -19.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.906 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' PHE . . . . . 0.635 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 89.7 m-85 -89.99 146.62 24.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.49 -39.6 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.488 0.185 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.085 HG13 HD22 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -59.72 -21.4 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -61.17 -33.67 73.8 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.404 1.065 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.566 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -70.55 -39.02 74.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.236 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 20.8 t80 -79.48 -43.0 24.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.172 HD21 ' CD2' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -64.48 -27.01 68.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 5.5 mt-10 -76.84 -25.3 53.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.522 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.19 -25.8 39.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.566 1.166 . . . . 0.0 110.247 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.522 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 15.2 pt -98.12 -11.44 8.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.71 67.62 1.48 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.128 . . . . 0.0 111.085 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.713 ' SG ' HD11 ' A' ' 59' ' ' ILE . 30.2 m -137.49 39.67 2.44 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 m -59.31 -23.85 62.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.563 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -101.38 31.46 3.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.779 ' CD2' HG11 ' A' ' 50' ' ' VAL . 16.6 m-85 -129.68 7.71 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.068 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -66.6 -66.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.99 -17.48 57.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.418 1.074 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.643 ' CB ' HD21 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -83.58 -47.78 10.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.35 1.031 . . . . 0.0 110.082 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.172 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.9 m-85 -67.77 -41.6 83.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.462 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 20.6 mt -62.37 -23.64 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 28' ' ' GLN . 24.5 tp60 -74.55 -45.82 43.02 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.701 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 28.8 t -82.89 -27.79 30.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 108.263 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.701 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 13.1 m-20 100.36 61.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.661 ' O ' HG21 ' A' ' 10' ' ' VAL . 1.9 mm? -124.08 32.19 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.241 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 32' ' ' VAL . 2.0 m -95.89 19.66 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.082 . . . . 0.0 109.239 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.418 ' OG1' ' HB2' ' A' ' 36' ' ' GLU . 1.1 p -126.34 156.81 39.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.485 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.581 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 24.3 mt-10 -87.35 35.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.23 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 10.5 pt-20 -147.43 -44.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.655 ' HB3' HD13 ' A' ' 31' ' ' LEU . 11.4 mm-40 -51.98 -44.33 63.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.868 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 1.4 pt -75.71 -18.38 15.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HB2' ' CB ' ' A' ' 66' ' ' PHE . 6.6 ttpp -72.15 -17.15 61.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -130.25 41.7 3.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.877 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -118.33 164.66 14.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.666 ' OD2' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -117.28 176.36 5.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.987 ' O ' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -72.93 -37.86 67.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.783 ' HA ' ' CG2' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -63.1 -28.23 69.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.666 HD12 ' OD2' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -71.08 -37.18 66.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.701 HD13 ' NH2' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -72.99 -54.15 9.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.072 . . . . 0.0 109.365 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.987 HG22 ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -53.38 -37.4 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.45 -27.14 56.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.063 ' CD2' HG13 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -61.9 -27.97 69.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.738 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 131.1 21.67 1.06 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.556 1.16 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.063 HG13 ' CD2' ' A' ' 48' ' ' LEU . 2.9 m -122.1 72.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.73 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -71.79 -13.63 61.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -48.28 99.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.239 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.781 HG23 HD11 ' B' ' 129' ' ' ILE . 37.3 mm -66.85 138.24 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 115.66 -95.21 0.69 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' GLY . 20.8 t70 -37.67 -31.18 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 0.797 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.701 ' NH2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -49.55 -42.22 43.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.427 1.079 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.743 HD11 HD12 ' B' ' 127' ' ' ILE . 6.7 tt -63.62 -38.54 91.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 0.0 109.323 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -55.07 39.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.59 1.181 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.713 HD11 ' SG ' ' A' ' 19' ' ' CYS . 3.3 mt -54.9 -36.55 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.12 . . . . 0.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.666 HD21 ' CB ' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -61.12 -37.18 81.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -51.89 11.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 65' ' ' SER . 7.2 mmtt -61.26 -34.07 74.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 m -51.73 -36.39 46.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -76.85 -18.2 58.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 10.5 t -49.41 -17.23 0.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.459 1.099 . . . . 0.0 109.923 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.868 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 86.8 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.921 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -62.24 -41.59 98.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.712 ' C ' HD13 ' B' ' 95' ' ' LEU . 1.0 OUTLIER -68.26 -23.4 64.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 96' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' B' ' 145' ' ' LYS . 3.2 t80 -84.92 -43.2 14.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.781 HD23 HD11 ' B' ' 100' ' ' ILE . 72.8 mt -65.64 -26.34 67.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' B' ' 95' ' ' LEU . 0.9 OUTLIER -64.59 -32.84 74.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 2.3 tt0 -80.0 -33.72 39.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.339 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.781 HD11 HD23 ' B' ' 97' ' ' LEU . 9.3 pt -97.42 24.21 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.215 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 101' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' B' ' 100' ' ' ILE . . . 32.08 76.89 0.03 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 102' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' B' ' 105' ' ' TYR . 67.4 m -142.12 45.54 1.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.4 ' O ' HD13 ' B' ' 106' ' ' LEU . 23.0 m -60.8 -19.34 59.36 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.6 1.188 . . . . 0.0 110.34 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' GLN . . . . . 0.606 ' HG3' ' CE1' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -96.09 24.12 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.321 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.728 ' CD2' HG11 ' B' ' 133' ' ' VAL . 31.1 m-85 -128.29 20.6 6.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.448 ' O ' HG13 ' B' ' 110' ' ' ILE . 9.4 mp -79.81 -67.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.27 -17.32 63.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.168 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' SER . . . . . 0.563 ' CB ' HD21 ' B' ' 131' ' ' LEU . 5.5 p -81.87 -39.08 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.711 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 2.9 m-85 -76.73 -38.3 54.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.475 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 80.2 mt -61.76 -24.23 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 0.0 109.396 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -81.24 -44.02 18.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' CYS . . . . . 0.676 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 8.2 t -78.59 -28.83 45.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 108.253 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.676 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 6.9 m-20 97.61 65.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.921 ' O ' HG21 ' B' ' 93' ' ' VAL . 92.3 mt -133.3 32.6 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 115' ' ' VAL . 2.0 m -94.69 18.48 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' THR . . . . . 0.514 ' O ' HD13 ' B' ' 120' ' ' ILE . 77.7 m -127.26 158.85 36.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.434 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.559 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 29.3 mt-10 -88.57 25.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -136.85 -44.48 0.58 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.25 -42.9 61.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.448 1.093 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.859 HG22 HD22 ' B' ' 114' ' ' LEU . 0.4 OUTLIER -69.02 -30.38 46.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.553 1.158 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.53 ' CB ' ' HB2' ' B' ' 149' ' ' PHE . 0.0 OUTLIER -83.94 -13.07 54.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.38 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' B' ' 118' ' ' GLU . 0.2 OUTLIER -119.33 41.14 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.967 HD13 ' C ' ' B' ' 123' ' ' LEU . 0.0 OUTLIER -144.23 -168.8 2.97 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.584 1.178 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 124' ' ' ASP . . . . . 0.721 ' N ' HD13 ' B' ' 123' ' ' LEU . 5.2 m-20 -121.27 -175.03 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.706 ' HA ' HD12 ' B' ' 128' ' ' LEU . 0.0 OUTLIER -93.25 -33.78 13.82 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.7 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -61.28 -16.75 48.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.743 HD12 HD11 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -76.33 -38.69 33.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' B' ' 125' ' ' LYS . 1.2 mt -63.35 -53.57 50.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.814 HG21 ' HE2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -52.39 -38.28 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 130' ' ' ALA . . . . . 0.75 ' N ' HD13 ' B' ' 129' ' ' ILE . . . -79.08 -28.33 43.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 131' ' ' LEU . . . . . 1.064 ' CD2' HG13 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -55.24 -28.04 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.339 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 132' ' ' GLY . . . . . 0.683 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 130.29 22.13 1.12 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.552 1.157 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 1.064 HG13 ' CD2' ' B' ' 131' ' ' LEU . 3.4 m -119.73 77.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 109.314 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 134' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' B' ' 136' ' ' ILE . 8.5 p30 -76.14 -15.73 60.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 135' ' ' LYS . . . . . 0.551 ' O ' ' CD ' ' B' ' 139' ' ' ARG . 10.9 mtpt -46.9 90.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.941 HD13 HD11 ' A' ' 46' ' ' ILE . 85.0 mt -57.61 134.53 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.433 1.083 . . . . 0.0 109.218 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 137' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' B' ' 140' ' ' LEU . . . 117.36 -94.6 0.63 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 138' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' B' ' 137' ' ' GLY . 1.7 m-20 -37.35 -34.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 0.731 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 139' ' ' ARG . . . . . 0.717 HH21 HG13 ' B' ' 129' ' ' ILE . 0.0 OUTLIER -49.33 -39.41 31.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.342 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 140' ' ' LEU . . . . . 0.74 HD12 ' HB3' ' A' ' 43' ' ' ASP . 3.8 tt -66.91 -35.9 81.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 141' ' ' LYS . . . . . 0.429 ' HE2' ' CA ' ' B' ' 100' ' ' ILE . 0.0 OUTLIER -59.94 -53.38 58.54 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.555 HG21 HD22 ' B' ' 128' ' ' LEU . 4.0 mt -55.6 -34.23 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.581 ' HB3' ' O ' ' B' ' 140' ' ' LEU . 0.2 OUTLIER -55.62 -44.82 77.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -76.57 -40.78 48.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 145' ' ' LYS . . . . . 0.537 ' CG ' HG21 ' B' ' 100' ' ' ILE . 36.1 mmtt -61.89 -40.89 96.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 146' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' B' ' 120' ' ' ILE . 29.7 m -52.74 -34.04 50.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 110.024 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 147' ' ' LYS . . . . . 0.467 ' C ' ' N ' ' B' ' 149' ' ' PHE . 63.8 mttt -79.32 -16.58 56.13 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 148' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 27.9 t -43.09 -22.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 149' ' ' PHE . . . . . 0.856 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 42.1 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 111.052 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.452 0.167 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.72 HG21 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -58.76 -21.1 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 27.6 tt0 -62.48 -38.54 90.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 1.072 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.615 ' C ' HD13 ' A' ' 12' ' ' LEU . 2.7 tm? -70.4 -39.61 74.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.234 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 9.8 t80 -74.33 -38.15 63.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.938 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.85 HD11 ' CD2' ' A' ' 26' ' ' PHE . 11.3 mt -67.19 -33.76 76.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.841 ' CG ' HG22 ' A' ' 20' ' ' THR . 2.7 mt-10 -72.02 -25.11 61.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.21 -29.47 38.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.588 1.18 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.619 HD11 ' CD2' ' A' ' 14' ' ' LEU . 6.8 pt -96.93 -9.09 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.96 77.38 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.835 ' SG ' HD11 ' A' ' 59' ' ' ILE . 66.1 m -153.8 37.95 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.841 HG22 ' CG ' ' A' ' 15' ' ' GLU . 73.3 p -58.33 -24.73 60.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.612 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 5.5 pm0 -101.7 36.11 2.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.622 ' CD1' ' HA ' ' A' ' 19' ' ' CYS . 5.0 m-85 -130.51 4.66 4.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 111.058 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 20' ' ' THR . 9.2 mp -59.64 -66.85 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.372 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.93 -18.49 60.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.527 ' HB3' HD21 ' A' ' 48' ' ' LEU . 1.8 m -81.02 -47.97 12.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.031 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.85 ' CD2' HD11 ' A' ' 14' ' ' LEU . 3.8 m-85 -71.45 -39.92 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.485 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 36.7 mt -63.38 -23.68 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -76.94 -41.49 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.672 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 53.9 t -83.15 -28.63 29.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 108.25 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.672 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 13.0 m-20 98.55 53.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.842 HD11 HD23 ' A' ' 40' ' ' LEU . 1.1 mm? -119.02 33.43 5.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 32' ' ' VAL . 2.0 m -94.57 18.89 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.563 ' O ' HD13 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -125.31 159.3 32.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.366 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.631 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 18.9 mt-10 -91.29 34.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.218 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 8.4 mt-10 -148.13 -44.96 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -53.66 -39.94 65.48 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.595 1.185 . . . . 0.0 110.227 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.922 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -69.02 -28.9 41.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.495 ' CB ' ' HB2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -83.9 -13.45 53.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.05 44.63 1.9 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.842 HD23 HD11 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -141.87 -169.33 2.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 1.073 ' HB2' HD13 ' A' ' 44' ' ' ILE . 28.3 m-20 -115.68 -174.47 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.811 ' O ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -82.71 -43.47 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.666 ' CG ' ' HB2' ' B' ' 140' ' ' LEU . 5.6 t70 -64.36 -25.81 68.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.077 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 1.073 HD13 ' HB2' ' A' ' 41' ' ' ASP . 1.4 mp -56.65 -40.06 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.976 HD22 HG21 ' A' ' 59' ' ' ILE . 1.1 mt -79.41 -49.06 12.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.165 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.938 HG22 ' HG2' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -55.64 -38.02 48.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.14 -24.65 47.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.914 HD23 ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -53.89 -30.32 45.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.914 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 147.36 -11.42 1.35 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.357 1.035 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.886 HG12 HD22 ' A' ' 48' ' ' LEU . 2.3 p -87.3 83.84 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -82.04 -17.78 45.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.588 ' CG ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -51.78 98.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.24 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.734 HG23 HD11 ' B' ' 129' ' ' ILE . 30.9 mt -62.2 136.61 25.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 117.99 -94.71 0.61 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.593 1.183 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' GLY . 2.0 m-20 -37.28 -30.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 0.798 . . . . 0.0 109.293 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.938 ' HG2' HG22 ' A' ' 46' ' ' ILE . 6.9 mtp180 -47.85 -50.84 25.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.592 ' HB2' ' CG ' ' B' ' 126' ' ' ASP . 5.5 tt -50.85 -45.24 59.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -53.9 -53.29 54.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.244 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.976 HG21 HD22 ' A' ' 45' ' ' LEU . 31.7 mt -55.04 -39.84 51.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.804 HD21 ' CG ' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -63.63 -33.97 76.8 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.53 -45.52 30.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.525 ' CE ' HG22 ' A' ' 17' ' ' ILE . 17.7 mmtm -61.53 -39.61 91.66 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 51.0 m -51.93 -32.79 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.085 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -76.78 -19.68 57.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.465 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 46.9 m -53.22 -16.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.922 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 97.0 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.962 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' GLN . . . . . 0.682 ' HB2' HD11 ' B' ' 106' ' ' LEU . 1.3 tm0? -62.78 -40.6 97.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.691 ' O ' HD12 ' B' ' 95' ' ' LEU . 0.2 OUTLIER -64.85 -25.63 67.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 96' ' ' PHE . . . . . 0.641 ' O ' HG23 ' B' ' 100' ' ' ILE . 6.1 t80 -87.45 -43.14 12.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.704 HD13 ' HB2' ' B' ' 105' ' ' TYR . 18.3 mt -61.58 -24.58 66.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.239 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -69.72 -31.82 70.03 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 6.9 tp10 -80.58 -27.93 37.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.399 1.062 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.645 HG22 ' HD2' ' B' ' 145' ' ' LYS . 0.3 OUTLIER -95.2 -17.89 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.236 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 101' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' B' ' 97' ' ' LEU . . . 81.37 66.86 1.57 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' CYS . . . . . 0.851 ' SG ' HD11 ' B' ' 142' ' ' ILE . 61.1 m -143.41 40.71 1.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 3.0 m -58.78 -21.6 56.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' GLN . . . . . 0.545 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 18.8 pm0 -102.79 34.74 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.761 ' CD2' HG11 ' B' ' 133' ' ' VAL . 6.1 m-85 -128.84 3.48 5.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' B' ' 94' ' ' GLN . 3.8 mm? -63.02 -65.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.226 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.35 -16.85 9.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' SER . . . . . 0.8 ' HB3' HD21 ' B' ' 131' ' ' LEU . 0.4 OUTLIER -90.66 -39.83 12.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 110.004 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.74 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 3.4 m-85 -76.27 -37.87 56.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.671 ' HA ' HG12 ' B' ' 115' ' ' VAL . 57.0 mt -60.72 -24.76 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.215 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -81.02 -45.52 16.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' CYS . . . . . 0.688 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 42.2 t -72.49 -27.4 62.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.155 . . . . 0.0 108.257 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.688 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 10.5 m-20 99.46 45.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.962 ' O ' HG21 ' B' ' 93' ' ' VAL . 68.7 mt -116.65 40.36 2.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.671 HG12 ' HA ' ' B' ' 110' ' ' ILE . 0.5 OUTLIER -101.22 12.25 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 6.0 p -123.6 161.63 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.458 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.51 ' HB3' ' CE2' ' B' ' 149' ' ' PHE . 27.6 mt-10 -89.89 31.21 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.25 -45.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.33 -44.22 54.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.839 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 0.6 OUTLIER -74.15 -25.87 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.4 1.062 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.533 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 4.6 ttpm? -68.18 -17.65 64.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -130.36 39.36 3.65 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.722 HD22 ' O ' ' B' ' 120' ' ' ILE . 0.3 OUTLIER -121.75 175.31 6.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.237 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 124' ' ' ASP . . . . . 0.804 ' CG ' HD21 ' A' ' 60' ' ' LEU . 68.8 m-20 -122.38 -168.25 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.234 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 1.057 ' O ' HG23 ' B' ' 129' ' ' ILE . 0.0 OUTLIER -87.91 -38.27 15.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.187 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.637 ' H ' ' HZ3' ' A' ' 42' ' ' LYS . 6.2 t70 -62.63 -19.64 63.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.408 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.61 ' CG2' HD12 ' B' ' 123' ' ' LEU . 0.7 OUTLIER -76.22 -40.35 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.981 HD22 ' CG2' ' B' ' 142' ' ' ILE . 0.4 OUTLIER -77.11 -42.1 39.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 1.057 HG23 ' O ' ' B' ' 125' ' ' LYS . 0.7 OUTLIER -59.28 -39.77 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 130' ' ' ALA . . . . . 0.533 ' N ' HD12 ' B' ' 129' ' ' ILE . . . -78.53 -26.22 45.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 109.379 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 131' ' ' LEU . . . . . 1.061 HD22 HG13 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -55.61 -29.53 59.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.586 1.179 . . . . 0.0 109.33 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 132' ' ' GLY . . . . . 0.789 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 133.26 22.59 0.79 Allowed Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 1.061 HG13 HD22 ' B' ' 131' ' ' LEU . 2.5 m -121.5 79.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.382 0.696 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 134' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' B' ' 136' ' ' ILE . 15.1 p30 -76.32 -16.7 59.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 135' ' ' LYS . . . . . 0.494 ' O ' ' HD3' ' B' ' 139' ' ' ARG . 21.3 mttp -46.51 91.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.397 1.061 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' B' ' 134' ' ' ASN . 3.8 mt -58.48 128.45 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 137' ' ' GLY . . . . . 0.653 ' O ' ' N ' ' B' ' 140' ' ' LEU . . . 123.74 -96.01 0.53 Allowed Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.447 1.092 . . . . 0.0 111.049 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 138' ' ' ASP . . . . . 0.451 ' O ' ' HG3' ' B' ' 141' ' ' LYS . 1.4 m-20 -36.39 -50.91 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 0.73 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 139' ' ' ARG . . . . . 0.866 HH21 ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -44.54 -28.06 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 140' ' ' LEU . . . . . 0.773 ' HA ' HD23 ' B' ' 143' ' ' LEU . 2.5 tt -68.23 -53.96 21.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 141' ' ' LYS . . . . . 0.556 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -53.51 -35.88 61.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.981 ' CG2' HD22 ' B' ' 128' ' ' LEU . 9.8 mt -56.23 -49.38 76.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.773 HD23 ' HA ' ' B' ' 140' ' ' LEU . 0.8 OUTLIER -61.39 -30.03 70.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.241 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -51.66 9.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 145' ' ' LYS . . . . . 0.645 ' HD2' HG22 ' B' ' 100' ' ' ILE . 0.8 OUTLIER -66.5 -28.79 68.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 146' ' ' SER . . . . . 0.594 ' OG ' HD21 ' B' ' 123' ' ' LEU . 17.5 m -54.0 -31.73 51.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 147' ' ' LYS . . . . . 0.469 ' C ' ' N ' ' B' ' 149' ' ' PHE . 2.0 mtpt -78.66 -15.95 57.88 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 148' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 35.6 t -46.62 -19.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.987 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 149' ' ' PHE . . . . . 0.839 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 94.0 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.506 0.193 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.031 HG21 ' O ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -57.65 -23.41 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -62.81 -40.84 98.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 12' ' ' LEU . 3.3 tt -71.83 -24.85 61.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.628 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 31.4 t80 -80.11 -41.63 25.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.646 HD13 ' HB2' ' A' ' 22' ' ' TYR . 4.8 mt -68.81 -30.68 69.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.03 -35.49 81.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.432 1.082 . . . . 0.0 110.248 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -80.45 -32.47 37.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.573 HD12 HG12 ' A' ' 59' ' ' ILE . 2.1 pt -99.13 25.9 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.348 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' ILE . . . 34.01 83.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.533 1.145 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.59 ' SG ' HD11 ' A' ' 59' ' ' ILE . 48.6 m -153.37 32.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -55.39 -18.91 7.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.493 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 7.7 pt20 -98.93 29.08 3.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.646 ' HB2' HD13 ' A' ' 14' ' ' LEU . 9.6 m-85 -128.35 1.53 5.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 27' ' ' ILE . 2.7 mm? -63.52 -65.45 0.68 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.378 1.048 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -16.41 17.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.634 ' HB3' HD21 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -91.26 -41.91 10.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.374 1.046 . . . . 0.0 109.927 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.718 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 2.4 m-85 -70.21 -40.33 74.63 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.614 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 29.1 mt -62.97 -24.27 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -75.54 -46.67 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.701 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 39.7 t -79.0 -29.19 43.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 108.292 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.701 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 22.4 m-20 101.36 56.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.031 ' O ' HG21 ' A' ' 10' ' ' VAL . 1.3 mm? -120.3 35.61 4.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.406 1.066 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER -98.17 21.25 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.418 1.074 . . . . 0.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.1 m -133.15 161.12 35.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.448 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.516 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 35.1 mt-10 -89.71 22.85 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -132.27 -44.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 110.362 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' HB3' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -53.79 -44.49 70.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.809 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 1.2 pt -72.95 -18.59 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.552 ' HB2' ' HB2' ' A' ' 66' ' ' PHE . 5.6 tttm -77.7 -17.34 57.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.402 1.064 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -123.43 42.08 3.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.402 1.064 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.806 HD22 ' O ' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -134.9 156.88 48.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.371 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.501 ' CG ' HD21 ' B' ' 143' ' ' LEU . 2.7 m-20 -100.32 -160.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.934 ' HD2' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -93.54 -42.22 9.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.775 ' O ' HG22 ' A' ' 46' ' ' ILE . 8.0 t0 -61.8 -29.68 70.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.52 HG21 ' HB2' ' A' ' 40' ' ' LEU . 1.1 mp -60.68 -37.2 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.771 HD23 HD13 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -81.27 -41.15 22.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.775 HG22 ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -49.54 -38.55 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.18 -25.52 47.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.898 HD23 ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -58.77 -28.84 66.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.231 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.768 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 140.58 -5.91 2.64 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.672 HG12 HD22 ' A' ' 48' ' ' LEU . 3.0 p -94.05 72.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 0.0 109.391 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -77.59 -17.09 58.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.433 ' NZ ' ' HB3' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -51.3 102.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.715 HG23 ' CD1' ' B' ' 129' ' ' ILE . 39.0 mt -64.9 134.15 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 121.22 -94.89 0.55 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.479 1.112 . . . . 0.0 111.052 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 54' ' ' GLY . 2.8 m-20 -35.24 -32.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.637 HH21 ' CD1' ' B' ' 129' ' ' ILE . 2.5 ttp-105 -48.07 -32.1 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.261 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.622 ' HB2' ' CB ' ' B' ' 126' ' ' ASP . 0.2 OUTLIER -70.71 -34.48 71.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.593 ' HG3' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.07 -51.27 70.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.593 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 27.7 mt -63.2 -24.16 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.223 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.938 HD11 ' OD1' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -65.53 -41.82 92.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -41.34 46.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.628 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 40.7 mmtt -61.68 -45.2 95.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 37' ' ' ILE . 4.3 p -50.45 -30.44 12.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.125 . . . . 0.0 110.058 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -79.98 -22.51 42.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 62' ' ' LYS . 53.0 m -41.85 -25.05 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.809 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 41.8 m-85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.894 HG13 HD22 ' B' ' 97' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' GLN . . . . . 0.548 ' CG ' HD11 ' B' ' 106' ' ' LEU . 61.3 mt-30 -62.64 -42.64 99.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.373 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.817 HD13 ' O ' ' B' ' 95' ' ' LEU . 2.6 tm? -66.02 -24.69 66.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 96' ' ' PHE . . . . . 0.718 ' CE1' HG21 ' B' ' 100' ' ' ILE . 2.8 t80 -87.97 -43.69 11.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 1.01 HD21 ' CD2' ' B' ' 109' ' ' PHE . 0.6 OUTLIER -60.11 -24.01 64.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -73.71 -32.5 63.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 4.0 tt0 -78.91 -25.01 43.75 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.788 HG22 ' HD2' ' B' ' 145' ' ' LYS . 0.6 OUTLIER -95.44 -15.97 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.84 67.49 1.51 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.422 1.076 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' CYS . . . . . 0.61 ' HA ' ' CD1' ' B' ' 105' ' ' TYR . 93.8 m -139.32 37.06 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 60.6 p -57.32 -24.97 58.43 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.532 1.145 . . . . 0.0 110.489 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' GLN . . . . . 0.583 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 1.4 pm0 -102.78 35.82 2.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.61 ' CD1' ' HA ' ' B' ' 102' ' ' CYS . 6.5 m-85 -128.98 3.48 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.548 HD11 ' CG ' ' B' ' 94' ' ' GLN . 0.1 OUTLIER -61.82 -65.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.4 -16.04 20.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' SER . . . . . 0.537 ' HB3' HD21 ' B' ' 131' ' ' LEU . 12.4 m -89.29 -47.96 7.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 1.01 ' CD2' HD21 ' B' ' 97' ' ' LEU . 2.6 m-85 -68.38 -40.52 81.38 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.6 1.187 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.518 HG13 ' O ' ' B' ' 106' ' ' LEU . 14.8 mt -65.01 -23.67 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -72.45 -51.97 17.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' CYS . . . . . 0.655 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 33.4 t -81.49 -27.44 34.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.417 1.073 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.655 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 1.6 m-20 96.52 63.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.943 HD11 HD23 ' B' ' 123' ' ' LEU . 0.5 OUTLIER -115.82 17.5 16.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.339 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.816 HG22 ' O ' ' B' ' 115' ' ' VAL . 1.3 p -109.32 51.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.234 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' THR . . . . . 0.46 ' O ' ' N ' ' B' ' 118' ' ' GLU . 19.6 m -138.21 20.1 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.598 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 19.0 mt-10 34.1 36.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.246 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' B' ' 116' ' ' THR . 16.8 tt0 -155.7 -44.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -37.43 78.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.829 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 0.5 OUTLIER -67.61 -26.05 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.521 ' CB ' ' HB2' ' B' ' 149' ' ' PHE . 1.3 pttt -85.35 -13.76 48.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.407 1.067 . . . . 0.0 109.25 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -116.69 42.81 2.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.943 HD23 HD11 ' B' ' 114' ' ' LEU . 0.1 OUTLIER -143.48 -169.32 3.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 124' ' ' ASP . . . . . 0.938 ' OD1' HD11 ' A' ' 60' ' ' LEU . 30.3 m-20 -121.93 -171.81 2.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.84 ' HG3' ' HZ2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -85.98 -34.58 20.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.676 ' HB2' ' HZ1' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -64.87 -27.2 68.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.61 ' CG2' HD22 ' B' ' 123' ' ' LEU . 1.1 mp -67.99 -37.73 78.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' B' ' 124' ' ' ASP . 1.9 mm? -69.13 -52.99 22.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.715 ' CD1' HG23 ' A' ' 53' ' ' ILE . 2.3 pp -60.71 -32.11 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.2 -29.36 48.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 131' ' ' LEU . . . . . 1.05 HD22 HG23 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -58.08 -27.22 63.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 132' ' ' GLY . . . . . 0.852 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 133.53 37.72 0.23 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.57 1.169 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 1.05 HG23 HD22 ' B' ' 131' ' ' LEU . 4.4 t -123.51 74.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.45 0.735 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 134' ' ' ASN . . . . . 0.546 ' C ' HH21 ' B' ' 139' ' ' ARG . 2.0 m-20 -66.65 -17.31 64.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 135' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' B' ' 139' ' ' ARG . 23.9 mttp -54.68 97.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 109.25 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.496 ' HA ' ' CD ' ' B' ' 139' ' ' ARG . 66.4 mt -66.78 129.8 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 137' ' ' GLY . . . . . 0.531 ' O ' ' OD1' ' A' ' 43' ' ' ASP . . . 117.96 -97.11 0.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 138' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' B' ' 141' ' ' LYS . 1.0 OUTLIER -36.59 -34.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.744 . . . . 0.0 109.334 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 139' ' ' ARG . . . . . 0.742 ' HD3' ' HZ1' ' B' ' 125' ' ' LYS . 4.4 ptp180 -45.86 -34.55 3.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 140' ' ' LEU . . . . . 0.785 ' O ' HD23 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -75.88 -34.54 60.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 141' ' ' LYS . . . . . 0.693 ' N ' HD23 ' B' ' 140' ' ' LEU . 0.0 OUTLIER -52.86 -43.93 66.44 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.564 HD11 ' SG ' ' B' ' 102' ' ' CYS . 84.5 mt -63.79 -43.34 97.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.394 1.059 . . . . 0.0 109.222 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.785 HD23 ' O ' ' B' ' 140' ' ' LEU . 0.0 OUTLIER -57.5 -26.87 61.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -50.72 8.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 145' ' ' LYS . . . . . 0.788 ' HD2' HG22 ' B' ' 100' ' ' ILE . 0.1 OUTLIER -64.81 -31.5 72.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 146' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' B' ' 143' ' ' LEU . 1.5 p -51.19 -31.73 21.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 109.997 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 147' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' B' ' 149' ' ' PHE . 36.4 mtmt -79.15 -17.65 54.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.42 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 148' ' ' SER . . . . . 0.508 ' N ' ' O ' ' B' ' 145' ' ' LYS . 48.7 m -50.73 -18.5 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.956 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 149' ' ' PHE . . . . . 0.829 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 87.9 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.066 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.524 0.202 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.761 HG21 ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -58.08 -19.97 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 57.6 mt-30 -61.63 -41.08 96.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.62 -39.18 67.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 6.9 t80 -71.88 -41.33 68.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.991 HD11 ' CD2' ' A' ' 26' ' ' PHE . 10.5 mt -65.08 -37.77 88.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 3.1 mt-10 -70.04 -34.8 73.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -29.05 68.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 110.232 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.569 HD11 HD23 ' A' ' 14' ' ' LEU . 19.2 pt -96.92 -9.38 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.92 73.1 1.26 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.439 1.087 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.819 ' SG ' HD11 ' A' ' 59' ' ' ILE . 97.8 m -146.65 36.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.437 ' OG1' ' CG ' ' A' ' 15' ' ' GLU . 3.7 m -57.66 -22.52 46.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 3.3 pt20 -101.83 34.61 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.075 . . . . 0.0 110.338 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.594 ' CG ' ' HB3' ' A' ' 19' ' ' CYS . 7.3 m-85 -129.17 5.4 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 27' ' ' ILE . 20.9 mt -57.11 -68.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -64.97 -17.87 64.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.758 ' HB3' HD11 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -78.61 -55.45 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.991 ' CD2' HD11 ' A' ' 14' ' ' LEU . 1.7 m-85 -66.01 -39.26 90.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.97 HG12 HG21 ' A' ' 32' ' ' VAL . 49.4 mt -62.47 -24.39 35.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -74.69 -39.24 62.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.639 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 18.1 t -89.2 -28.46 19.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.639 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 3.1 m-20 95.09 55.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.761 ' O ' HG21 ' A' ' 10' ' ' VAL . 14.0 mt -113.18 22.85 13.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.97 HG21 HG12 ' A' ' 27' ' ' ILE . 5.0 t -94.28 37.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -139.66 143.9 37.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.671 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 30.8 mt-10 -80.32 17.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -131.05 -46.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 2.3 mm-40 -58.87 -42.5 89.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.168 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 2.3 pt -73.53 -18.93 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.553 ' HB2' ' CB ' ' A' ' 66' ' ' PHE . 1.5 ttpm? -85.65 -16.5 38.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -123.88 44.4 2.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.736 HD22 ' O ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -129.72 175.22 9.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.464 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 1.5 m-20 -103.53 175.52 5.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.837 ' O ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -84.23 -31.79 24.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.649 ' HB3' HD12 ' B' ' 140' ' ' LEU . 0.3 OUTLIER -79.41 -15.51 57.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.183 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 1.015 HD12 HD11 ' B' ' 140' ' ' LEU . 0.1 OUTLIER -72.4 -39.55 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.811 HD22 HG22 ' A' ' 59' ' ' ILE . 2.8 pp -70.49 -49.67 45.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.016 HG21 ' NZ ' ' B' ' 125' ' ' LYS . 0.8 OUTLIER -50.46 -35.6 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.523 ' N ' HG13 ' A' ' 46' ' ' ILE . . . -77.96 -27.39 49.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.758 HD11 ' HB3' ' A' ' 25' ' ' SER . 0.3 OUTLIER -53.38 -29.26 33.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.404 1.065 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.21 -14.65 1.67 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.152 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.607 HG12 ' HG ' ' A' ' 48' ' ' LEU . 2.2 p -86.05 75.98 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.523 ' OD1' HD11 ' B' ' 136' ' ' ILE . 8.4 t30 -79.44 -15.31 58.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 19.8 mtpp -48.75 98.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.862 HG23 ' CD1' ' B' ' 129' ' ' ILE . 57.4 mt -62.39 131.91 27.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 120.45 -96.5 0.62 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.552 1.157 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' GLY . 15.2 t70 -36.29 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.999 ' NH2' HD13 ' B' ' 129' ' ' ILE . 2.4 mtp180 -47.12 -35.1 6.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.6 1.188 . . . . 0.0 110.357 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.593 ' HB2' ' CB ' ' B' ' 126' ' ' ASP . 10.0 tt -63.69 -36.21 83.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -61.89 -54.94 35.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.819 HD11 ' SG ' ' A' ' 19' ' ' CYS . 45.2 mt -58.0 -28.83 34.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.691 HD21 ' CG ' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -62.22 -40.88 97.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.1 mmt-85 -77.89 -40.37 40.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.231 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 23.4 mmtm -58.31 -43.28 88.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 37' ' ' ILE . 89.0 p -51.29 -37.82 49.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -78.94 -18.5 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 10.2 t -47.06 -19.2 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.611 1.195 . . . . 0.0 110.021 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 1.168 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 91.0 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 111.052 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.867 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -60.81 -40.34 92.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.631 HD13 ' O ' ' B' ' 95' ' ' LEU . 2.1 tm? -68.61 -23.9 64.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 96' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' B' ' 145' ' ' LYS . 4.1 t80 -85.34 -43.77 13.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.768 HD23 HD11 ' B' ' 100' ' ' ILE . 64.9 mt -62.8 -27.63 69.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -70.25 -31.93 69.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.494 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 5.8 tt0 -77.97 -26.91 49.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.316 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.768 HD11 HD23 ' B' ' 97' ' ' LEU . 1.0 OUTLIER -96.09 -20.2 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 101' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 97' ' ' LEU . . . 80.45 67.26 1.57 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' CYS . . . . . 0.713 ' SG ' HD11 ' B' ' 142' ' ' ILE . 91.3 m -142.31 44.64 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -60.76 -17.94 51.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -102.18 31.87 3.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 1.078 ' CD2' HG11 ' B' ' 133' ' ' VAL . 11.9 m-85 -129.14 1.87 5.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.453 ' O ' HG13 ' B' ' 110' ' ' ILE . 9.4 mp -67.45 -60.58 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.48 -18.06 10.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' SER . . . . . 0.69 ' HB2' HD21 ' B' ' 131' ' ' LEU . 0.0 OUTLIER -94.4 -39.22 10.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.675 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 2.6 m-85 -73.52 -39.31 64.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.586 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 45.8 mt -61.31 -25.0 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -80.2 -43.87 20.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' CYS . . . . . 0.651 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 32.2 t -75.61 -29.04 59.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 108.326 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.651 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 4.2 m-20 95.01 49.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.868 HD22 HG22 ' B' ' 120' ' ' ILE . 85.2 mt -114.81 30.88 7.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.586 ' CG1' ' HA ' ' B' ' 110' ' ' ILE . 1.2 m -95.61 21.61 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 44.2 p -125.86 157.59 37.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 110.363 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.55 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 25.0 mt-10 -89.69 32.79 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' B' ' 121' ' ' LYS . 1.8 mp0 -143.32 -44.79 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.442 ' HA ' ' CE1' ' B' ' 122' ' ' TYR . 1.7 mt-10 -53.11 -44.16 67.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.868 HG22 HD22 ' B' ' 114' ' ' LEU . 0.6 OUTLIER -76.17 -18.91 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.498 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 21.8 ttpp -72.65 -17.38 61.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 0.714 ' CG ' ' O ' ' B' ' 122' ' ' TYR . 0.6 OUTLIER -134.34 37.52 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.92 HD11 HD22 ' B' ' 128' ' ' LEU . 0.0 OUTLIER -116.87 166.45 12.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.371 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 124' ' ' ASP . . . . . 0.691 ' CG ' HD21 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -113.29 -169.73 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 1.016 ' NZ ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -91.21 -38.6 12.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.318 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.612 ' HA ' ' CG1' ' B' ' 129' ' ' ILE . 2.4 t70 -55.96 -28.28 56.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.785 ' CG2' HD12 ' B' ' 123' ' ' LEU . 0.7 OUTLIER -72.32 -37.67 59.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.92 HD22 HD11 ' B' ' 123' ' ' LEU . 0.5 OUTLIER -68.46 -57.13 6.3 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.999 HD13 ' NH2' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -50.89 -36.47 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.7 -27.06 55.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 131' ' ' LEU . . . . . 0.919 ' C ' HD23 ' B' ' 131' ' ' LEU . 0.0 OUTLIER -62.19 -26.74 68.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.192 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 132' ' ' GLY . . . . . 0.827 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 129.96 17.38 1.66 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 1.078 HG11 ' CD2' ' B' ' 105' ' ' TYR . 31.6 m -122.09 71.66 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.804 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 134' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' B' ' 136' ' ' ILE . 15.5 t30 -71.62 -13.67 61.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 135' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' B' ' 139' ' ' ARG . 34.8 mttp -40.77 97.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.523 HD11 ' OD1' ' A' ' 51' ' ' ASN . 8.8 mt -68.03 128.96 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 137' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' B' ' 138' ' ' ASP . . . 122.71 -98.89 0.63 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 138' ' ' ASP . . . . . 0.546 ' O ' ' CG ' ' B' ' 141' ' ' LYS . 12.4 t70 -37.56 -35.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 139' ' ' ARG . . . . . 0.744 HH21 ' HB ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -48.39 -31.66 6.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.259 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 140' ' ' LEU . . . . . 1.015 HD11 HD12 ' A' ' 44' ' ' ILE . 7.2 tt -68.25 -35.0 77.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 141' ' ' LYS . . . . . 0.672 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -61.95 -42.37 99.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.744 ' HB ' HH21 ' B' ' 139' ' ' ARG . 9.6 mt -64.75 -35.22 74.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.844 HD13 ' C ' ' B' ' 143' ' ' LEU . 0.3 OUTLIER -64.71 -34.74 79.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 144' ' ' ARG . . . . . 0.407 ' N ' HD13 ' B' ' 143' ' ' LEU . 0.3 OUTLIER -81.15 -49.58 10.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 145' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' B' ' 148' ' ' SER . 10.2 mttp -63.68 -33.01 74.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 146' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' B' ' 142' ' ' ILE . 4.4 m -52.86 -32.75 46.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 147' ' ' LYS . . . . . 0.476 ' C ' ' N ' ' B' ' 149' ' ' PHE . 3.8 ptpt -80.09 -15.94 56.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 148' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 67.8 m -43.13 -21.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.048 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 149' ' ' PHE . . . . . 0.752 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 87.2 m-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.5 0.191 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.638 HG11 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -59.04 -21.43 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.93 -36.91 84.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tt -70.09 -37.83 75.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 10.8 t80 -76.83 -40.21 48.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.806 ' CD2' HD11 ' A' ' 17' ' ' ILE . 7.4 mt -65.51 -37.26 86.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -66.57 -24.87 66.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -81.24 -28.99 34.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.355 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.806 HD11 ' CD2' ' A' ' 14' ' ' LEU . 5.7 pt -97.1 -10.73 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 14' ' ' LEU . . . 83.29 67.63 1.46 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.423 1.077 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.986 ' SG ' HD11 ' A' ' 59' ' ' ILE . 56.1 m -143.97 38.95 1.33 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 t -59.7 -20.24 55.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.408 1.068 . . . . 0.0 110.443 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.616 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 18.5 pm0 -101.03 30.92 3.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 1.03 ' CD2' HG11 ' A' ' 50' ' ' VAL . 6.5 m-85 -127.44 3.12 6.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 mt -56.79 -68.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -63.63 -18.7 64.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.686 ' HB3' HD21 ' A' ' 48' ' ' LEU . 3.8 m -78.86 -52.32 8.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.073 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.763 ' CD2' HD11 ' A' ' 14' ' ' LEU . 2.4 m-85 -68.26 -38.72 82.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.703 ' HA ' HG12 ' A' ' 32' ' ' VAL . 33.1 mt -65.17 -23.53 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -72.89 -54.49 8.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.245 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.614 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 32.1 t -67.73 -59.49 3.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 108.289 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 11.3 p30 146.18 40.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.638 ' O ' HG11 ' A' ' 10' ' ' VAL . 1.4 mm? -112.64 51.14 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.703 HG12 ' HA ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -111.12 11.34 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.517 HG22 ' H ' ' A' ' 34' ' ' GLU . 3.8 m -126.29 178.37 5.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.482 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.525 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 28.1 mt-10 -105.54 43.05 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.4 -46.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.95 -42.27 65.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.292 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.853 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.8 OUTLIER -73.42 -18.07 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HB2' ' HB2' ' A' ' 66' ' ' PHE . 21.8 ttpp -75.49 -17.41 60.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -130.99 44.49 2.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.848 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -121.0 169.82 10.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.206 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.769 ' OD1' HD21 ' B' ' 143' ' ' LEU . 51.6 m-20 -121.29 161.0 22.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.644 ' HG2' ' CG ' ' B' ' 125' ' ' LYS . 2.5 tttt -65.0 -41.25 95.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.633 ' CB ' ' HB3' ' B' ' 140' ' ' LEU . 2.7 t70 -62.18 -23.53 66.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.579 HD12 HD22 ' B' ' 140' ' ' LEU . 0.4 OUTLIER -75.53 -35.05 31.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.699 ' O ' HG22 ' A' ' 50' ' ' VAL . 1.4 mt -77.44 -51.03 11.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.664 HD12 ' NH1' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -48.81 -38.63 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.11 -26.5 53.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.348 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.871 HD23 ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -59.53 -26.92 65.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.825 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 129.66 19.49 1.47 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.03 HG11 ' CD2' ' A' ' 22' ' ' TYR . 27.7 m -122.16 74.46 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.532 ' O ' ' C ' ' A' ' 52' ' ' LYS . 3.0 m-80 -69.2 -14.78 63.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -30.44 96.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.672 ' HA ' HH21 ' A' ' 56' ' ' ARG . 2.0 mt -72.89 120.99 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 119.13 -93.24 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 54' ' ' GLY . 18.0 t0 -34.98 -31.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.672 HH21 ' HA ' ' A' ' 53' ' ' ILE . 23.8 mtm180 -45.87 -33.86 3.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.825 HD13 ' C ' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -63.02 -43.67 98.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.618 1.199 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.403 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -54.44 -51.94 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.986 HD11 ' SG ' ' A' ' 19' ' ' CYS . 4.5 mt -55.05 -29.84 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -67.01 -42.59 84.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -75.46 -49.2 19.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 65' ' ' SER . 23.8 mmtm -58.42 -37.38 75.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 2.6 m -53.32 -37.54 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.464 ' C ' ' N ' ' A' ' 66' ' ' PHE . 2.5 mtmp? -78.01 -17.7 56.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 13.7 t -45.24 -19.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.853 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 97.0 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.627 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -42.21 97.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.552 ' C ' HD23 ' B' ' 95' ' ' LEU . 0.9 OUTLIER -64.93 -24.52 67.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 96' ' ' PHE . . . . . 0.507 ' HD2' HG22 ' B' ' 93' ' ' VAL . 2.3 t80 -85.35 -40.1 16.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.811 HD23 HD11 ' B' ' 100' ' ' ILE . 95.7 mt -61.99 -26.67 68.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -64.38 -33.83 76.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 47.5 tt0 -79.79 -33.92 40.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.811 HD11 HD23 ' B' ' 97' ' ' LEU . 4.9 pt -97.33 25.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 101' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' B' ' 100' ' ' ILE . . . 32.38 79.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.128 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' CYS . . . . . 0.556 ' HB3' ' CG ' ' B' ' 105' ' ' TYR . 31.1 m -139.72 38.4 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 7.5 m -58.69 -20.99 53.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.367 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' GLN . . . . . 0.589 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 4.6 pm0 -100.95 32.0 3.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.623 ' O ' ' N ' ' B' ' 109' ' ' PHE . 9.1 m-85 -128.42 0.93 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.49 ' N ' HD23 ' B' ' 106' ' ' LEU . 5.5 mt -53.52 -70.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.5 -16.35 62.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' SER . . . . . 0.621 ' HB3' HD21 ' B' ' 131' ' ' LEU . 1.9 m -81.44 -39.72 24.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.687 ' CD1' HD11 ' B' ' 131' ' ' LEU . 2.6 m-85 -85.24 -35.45 21.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.433 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 37.4 mt -64.13 -25.78 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -82.72 -49.91 9.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.157 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' CYS . . . . . 0.657 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 52.0 t -69.03 -30.78 69.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 108.303 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.657 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 3.4 m-20 96.03 43.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.181 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.639 ' HB2' ' CD2' ' B' ' 109' ' ' PHE . 34.6 mt -103.88 16.06 27.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.744 HG22 ' O ' ' B' ' 115' ' ' VAL . 1.9 p -106.96 50.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 116' ' ' THR . . . . . 0.48 ' O ' ' N ' ' B' ' 118' ' ' GLU . 17.3 p -138.36 18.8 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.45 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.543 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 14.7 mt-10 34.6 34.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.536 ' O ' ' CG ' ' B' ' 121' ' ' LYS . 18.0 tp10 -150.35 -45.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -57.59 -38.12 74.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.308 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.81 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 0.5 OUTLIER -70.47 -26.2 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.602 ' CB ' ' HB2' ' B' ' 149' ' ' PHE . 0.0 OUTLIER -72.54 -15.22 61.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.31 33.68 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.808 HD22 ' O ' ' B' ' 120' ' ' ILE . 0.2 OUTLIER -122.5 179.86 4.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 124' ' ' ASP . . . . . 0.494 ' HB3' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -121.07 -161.59 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.918 ' HB3' HD13 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -93.74 -35.48 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.667 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 32.9 t0 -65.99 -29.14 69.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.635 HG21 HD12 ' B' ' 123' ' ' LEU . 1.2 mp -58.52 -33.1 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.531 ' HA ' ' HB3' ' B' ' 131' ' ' LEU . 3.3 mm? -70.98 -48.27 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.559 HG12 ' CZ ' ' B' ' 139' ' ' ARG . 0.2 OUTLIER -50.93 -41.04 21.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.23 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.57 -30.01 59.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 131' ' ' LEU . . . . . 0.886 HD22 HG23 ' B' ' 133' ' ' VAL . 0.1 OUTLIER -61.5 -28.92 69.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 132' ' ' GLY . . . . . 0.646 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 127.78 42.08 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.886 HG23 HD22 ' B' ' 131' ' ' LEU . 59.2 t -121.65 88.59 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 134' ' ' ASN . . . . . 0.414 ' C ' HH21 ' B' ' 139' ' ' ARG . 52.4 t-20 -81.28 -17.84 47.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 135' ' ' LYS . . . . . 0.487 ' C ' HH21 ' B' ' 139' ' ' ARG . 7.1 ptpp? -67.48 98.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.593 HD12 HD13 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -68.61 138.11 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 137' ' ' GLY . . . . . 0.464 ' O ' ' OD1' ' A' ' 43' ' ' ASP . . . 118.65 -98.42 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 138' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' B' ' 137' ' ' GLY . 4.6 m-20 -37.73 -33.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 139' ' ' ARG . . . . . 0.626 HH11 ' NZ ' ' B' ' 125' ' ' LYS . 19.9 ttm180 -47.02 -32.04 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 140' ' ' LEU . . . . . 0.674 HD13 ' OD2' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -75.38 -37.78 60.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 141' ' ' LYS . . . . . 0.578 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -52.58 -42.63 64.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.578 ' N ' ' HG3' ' B' ' 141' ' ' LYS . 96.5 mt -63.43 -43.42 98.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.918 HD13 ' HB3' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -58.07 -28.63 64.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -53.99 6.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 145' ' ' LYS . . . . . 0.696 ' HD3' HG22 ' B' ' 100' ' ' ILE . 0.4 OUTLIER -65.53 -28.82 69.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 146' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' B' ' 123' ' ' LEU . 88.2 p -51.54 -32.72 29.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 147' ' ' LYS . . . . . 0.462 ' C ' ' N ' ' B' ' 149' ' ' PHE . 6.7 mtmt -78.73 -17.21 56.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 148' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 68.4 m -45.82 -20.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.016 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 149' ' ' PHE . . . . . 0.81 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 78.8 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.549 0.214 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.856 HG12 HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -58.19 -19.95 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -61.62 -39.79 92.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.412 ' C ' HD23 ' A' ' 12' ' ' LEU . 6.8 tt -68.06 -34.38 76.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.618 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 3.6 t80 -80.4 -36.58 33.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.824 HD11 ' CD2' ' A' ' 26' ' ' PHE . 20.1 mt -70.5 -24.82 62.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -68.13 -39.72 82.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.667 ' HG2' HG23 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -76.38 -31.62 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.667 HG23 ' HG2' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -97.53 26.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' ILE . . . 35.58 88.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.115 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.575 ' SG ' ' CG ' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -141.58 33.94 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 m -57.57 -37.55 73.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.434 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.401 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 6.7 pm0 -96.85 29.86 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CG ' ' SG ' ' A' ' 19' ' ' CYS . 36.5 m-85 -128.53 -0.24 5.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 27' ' ' ILE . 9.6 mp -66.86 -62.61 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.49 -18.23 38.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.699 ' HB3' HD21 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -88.69 -40.62 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.824 ' CD2' HD11 ' A' ' 14' ' ' LEU . 2.7 m-85 -72.5 -39.5 67.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.779 HG12 HG21 ' A' ' 32' ' ' VAL . 14.1 mt -65.22 -24.55 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -71.75 -50.67 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.657 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 35.0 t -81.13 -28.58 35.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.254 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.657 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 12.5 m-20 96.48 64.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.681 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 1.1 mm? -117.26 20.8 13.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.856 HG13 HG12 ' A' ' 10' ' ' VAL . 1.1 t -108.96 48.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.597 1.186 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 35' ' ' GLU . 3.8 m -136.34 17.36 3.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 0.0 110.396 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.566 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 20.2 mt-10 34.89 33.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 18.1 tt0 -147.9 -45.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HB3' HD13 ' A' ' 31' ' ' LEU . 3.4 tp10 -59.98 -39.8 86.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.297 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.876 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -68.79 -18.89 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.621 ' CB ' ' HB2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -83.97 -14.4 50.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.85 43.86 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.729 HD22 ' HA ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -134.58 171.8 13.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.465 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -98.75 -173.06 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.388 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.603 ' CG ' ' CG ' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -92.78 -40.96 10.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.527 ' O ' HG13 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -62.66 -19.16 63.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.658 HG21 HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -67.16 -34.32 68.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.367 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.511 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 2.9 mm? -71.89 -50.1 32.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.866 HD13 ' HB ' ' B' ' 136' ' ' ILE . 0.8 OUTLIER -53.26 -36.31 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.551 ' N ' HG13 ' A' ' 46' ' ' ILE . . . -80.34 -29.62 38.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.759 HD22 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -53.46 -28.16 28.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.732 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 135.65 38.9 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.759 HG23 HD22 ' A' ' 48' ' ' LEU . 6.6 t -123.69 91.53 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -81.47 -16.65 51.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -72.08 97.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.597 ' HB ' HD13 ' B' ' 129' ' ' ILE . 1.6 pt -71.0 118.27 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 145.43 -94.52 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 54' ' ' GLY . 7.0 m-20 -35.57 -33.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 0.788 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.762 ' NE ' HG22 ' A' ' 46' ' ' ILE . 3.4 mtp180 -48.66 -33.45 9.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.062 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -63.86 -40.86 97.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.568 ' HG3' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -56.75 -49.84 74.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.372 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.568 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 83.2 mt -60.85 -35.59 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.812 HD22 HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -56.23 -39.53 72.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -46.43 21.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.246 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.618 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 32.2 mmtt -60.43 -38.89 85.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 56.2 m -50.67 -37.49 41.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.443 ' C ' ' N ' ' A' ' 66' ' ' PHE . 3.0 mppt? -79.18 -19.09 51.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 11.0 t -48.88 -18.49 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.876 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 94.5 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.958 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -62.64 -40.79 98.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.632 ' C ' HD12 ' B' ' 95' ' ' LEU . 0.4 OUTLIER -65.27 -23.83 67.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 96' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' B' ' 145' ' ' LYS . 12.8 t80 -84.63 -42.18 15.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.597 ' CD2' HD11 ' B' ' 100' ' ' ILE . 30.1 mt -63.88 -25.38 68.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 1.4 pp20? -64.28 -34.53 78.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 3.1 tt0 -80.33 -35.47 35.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.597 HD11 ' CD2' ' B' ' 97' ' ' LEU . 19.1 pt -97.06 22.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 101' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' B' ' 100' ' ' ILE . . . 30.33 81.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.412 1.07 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 102' ' ' CYS . . . . . 0.828 ' SG ' HD11 ' B' ' 142' ' ' ILE . 32.7 m -137.32 43.49 2.32 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 54.9 m -59.54 -19.1 45.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' GLN . . . . . 0.586 ' HG2' ' CD1' ' B' ' 105' ' ' TYR . 1.7 pt20 -98.31 27.73 4.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.899 ' CE2' HG21 ' B' ' 133' ' ' VAL . 20.0 m-85 -129.0 2.06 5.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.46 -66.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -72.21 -15.56 61.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' SER . . . . . 0.724 ' HB3' HD21 ' B' ' 131' ' ' LEU . 0.8 OUTLIER -78.93 -48.67 14.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.927 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 1.003 ' CE1' HD11 ' B' ' 128' ' ' LEU . 1.7 m-85 -70.33 -35.03 73.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.968 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.925 HG12 HG21 ' B' ' 115' ' ' VAL . 83.7 mt -64.96 -23.28 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -80.81 -48.41 12.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.567 1.167 . . . . 0.0 110.339 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' CYS . . . . . 0.632 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 12.8 t -76.9 -28.86 55.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.632 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 7.2 m-20 94.31 66.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.958 ' O ' HG21 ' B' ' 93' ' ' VAL . 2.3 mt -126.41 23.36 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.925 HG21 HG12 ' B' ' 110' ' ' ILE . 18.1 t -93.12 36.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.52 157.27 45.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.603 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 10.7 mp0 -89.0 32.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' B' ' 121' ' ' LYS . 0.3 OUTLIER -143.52 -47.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -41.93 93.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 1.235 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 1.7 pt -73.68 -18.1 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.506 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 5.4 tptt -75.26 -18.29 60.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 0.439 ' O ' ' CD2' ' B' ' 122' ' ' TYR . 76.0 t80 -128.85 45.06 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.625 HD22 HD22 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -114.46 165.19 13.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 124' ' ' ASP . . . . . 0.561 ' CG ' HD21 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -121.83 -169.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.844 ' HE2' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -91.35 -36.83 13.62 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.638 1.211 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.699 ' CB ' ' HB2' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -62.35 -40.83 97.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.475 HD12 ' CD2' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -67.14 -33.69 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 1.003 HD11 ' CE1' ' B' ' 109' ' ' PHE . 6.3 tp -73.58 -55.04 6.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.648 HD12 ' N ' ' B' ' 130' ' ' ALA . 2.8 pp -54.28 -34.98 28.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 130' ' ' ALA . . . . . 0.648 ' N ' HD12 ' B' ' 129' ' ' ILE . . . -78.28 -26.11 46.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 131' ' ' LEU . . . . . 1.02 HD22 HG23 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -60.67 -25.34 66.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 132' ' ' GLY . . . . . 0.735 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 143.45 -7.04 1.99 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 1.02 HG23 HD22 ' B' ' 131' ' ' LEU . 13.9 t -88.86 64.01 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -59.23 -16.66 22.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 135' ' ' LYS . . . . . 0.814 ' O ' ' NH1' ' B' ' 139' ' ' ARG . 7.4 mttm -74.77 88.39 2.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.866 ' HB ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -60.69 141.63 16.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 137' ' ' GLY . . . . . 0.55 ' O ' ' N ' ' B' ' 140' ' ' LEU . . . 131.62 -92.58 0.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 138' ' ' ASP . . . . . 0.646 ' HB3' HH21 ' B' ' 139' ' ' ARG . 0.2 OUTLIER -35.08 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 139' ' ' ARG . . . . . 0.814 ' NH1' ' O ' ' B' ' 135' ' ' LYS . 0.0 OUTLIER -51.33 -33.47 29.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 140' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' B' ' 137' ' ' GLY . 5.3 tp -62.62 -37.42 86.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 141' ' ' LYS . . . . . 0.449 ' HD3' HG22 ' B' ' 100' ' ' ILE . 0.0 OUTLIER -61.58 -52.06 65.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.954 HD12 HD21 ' B' ' 128' ' ' LEU . 1.3 mt -59.84 -25.98 34.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' B' ' 125' ' ' LYS . 1.3 mt -63.54 -41.45 98.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.631 1.207 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -78.19 -46.8 19.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 145' ' ' LYS . . . . . 0.568 ' HB3' ' CZ ' ' B' ' 96' ' ' PHE . 6.1 mmtp -63.71 -37.2 86.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 146' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' B' ' 142' ' ' ILE . 10.3 p -53.24 -31.06 41.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.888 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 147' ' ' LYS . . . . . 0.47 ' C ' ' N ' ' B' ' 149' ' ' PHE . 1.0 OUTLIER -79.03 -17.72 54.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 148' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 8.9 t -46.63 -19.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.165 . . . . 0.0 109.966 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 149' ' ' PHE . . . . . 1.235 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 97.0 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.571 0.224 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.859 HG12 HG13 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -58.65 -20.64 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -62.93 -39.63 95.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.717 ' C ' HD13 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -72.53 -33.98 67.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.629 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 1.8 t80 -80.39 -39.37 28.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.162 HD11 ' CD2' ' A' ' 26' ' ' PHE . 10.8 mt -64.66 -40.0 94.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -72.61 -24.6 61.1 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 9.1 tt0 -77.5 -27.0 51.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.716 HD11 HD23 ' A' ' 14' ' ' LEU . 50.2 pt -96.8 -6.32 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.8 67.96 1.43 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.543 1.152 . . . . 0.0 111.075 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.913 ' SG ' HD11 ' A' ' 59' ' ' ILE . 97.5 m -147.87 34.59 0.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 m -57.9 -22.01 46.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.591 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 8.0 pm0 -102.28 34.18 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.591 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 10.0 m-85 -129.21 8.72 5.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.417 ' O ' HG13 ' A' ' 27' ' ' ILE . 16.0 mt -63.24 -66.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.58 -18.87 33.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.723 ' HB3' HD21 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -84.06 -44.4 14.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.948 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.162 ' CD2' HD11 ' A' ' 14' ' ' LEU . 2.4 m-85 -76.55 -34.99 58.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.741 HG12 HG21 ' A' ' 32' ' ' VAL . 36.2 mt -67.47 -25.3 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -71.91 -51.26 23.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.654 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 34.6 t -79.54 -30.3 41.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 108.32 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.654 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 10.1 t-20 97.24 63.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.867 HD11 HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -115.63 19.68 15.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.859 HG13 HG12 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -107.11 45.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 34' ' ' GLU . 38.3 p -132.17 16.13 4.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.585 1.178 . . . . 0.0 110.357 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.629 ' HG2' HG23 ' A' ' 10' ' ' VAL . 25.0 mt-10 33.42 40.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' CB ' ' HE2' ' A' ' 38' ' ' LYS . 10.0 mt-10 -157.19 -45.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 3.9 mm-40 -60.1 -38.99 84.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.403 1.064 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.85 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -64.24 -25.35 37.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.524 ' CB ' ' HB2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -83.79 -13.33 54.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -118.54 42.23 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.166 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.867 HD23 HD11 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -147.96 -168.15 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.225 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.525 ' HB2' HD12 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -119.26 177.26 4.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.66 ' HZ3' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -89.38 -35.77 15.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.256 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.79 ' O ' HG22 ' A' ' 46' ' ' ILE . 5.4 t70 -64.48 -17.81 64.2 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.683 HD11 HD11 ' B' ' 140' ' ' LEU . 0.2 OUTLIER -73.5 -36.71 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.827 HD23 HD13 ' A' ' 48' ' ' LEU . 1.7 mt -64.1 -41.57 97.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.79 HG22 ' O ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -48.59 -37.13 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.49 -30.75 42.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.029 HD22 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -54.7 -27.1 38.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.723 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 138.56 4.54 1.63 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.029 HG23 HD22 ' A' ' 48' ' ' LEU . 3.0 t -86.73 77.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -78.98 -17.48 55.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -69.76 98.25 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.511 HG22 HH22 ' A' ' 56' ' ' ARG . 2.1 pt -68.7 129.88 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 129.73 -95.17 0.35 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' GLY . 1.8 m-20 -35.78 -31.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.585 0.815 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 54' ' ' GLY . 4.0 mtm-85 -47.84 -33.54 7.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 57' ' ' LEU . 6.0 tt -63.62 -36.12 82.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -61.56 -53.47 55.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.913 HD11 ' SG ' ' A' ' 19' ' ' CYS . 21.8 mt -57.57 -29.39 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.579 ' HB2' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.84 -42.01 98.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.419 ' CZ ' HD21 ' A' ' 57' ' ' LEU . 23.9 mmt85 -76.97 -41.56 42.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.629 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 70.5 mmtt -61.53 -41.24 97.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.237 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.455 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 50.8 m -52.12 -34.76 45.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.042 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 60' ' ' LEU . 23.6 mttt -81.31 -17.52 48.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 18.4 t -53.74 -16.47 1.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.85 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 97.3 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.971 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 94' ' ' GLN . . . . . 0.405 ' CB ' HD11 ' B' ' 106' ' ' LEU . 0.0 OUTLIER -62.96 -41.1 99.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.527 ' O ' HD12 ' B' ' 95' ' ' LEU . 0.2 OUTLIER -65.54 -24.77 67.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 96' ' ' PHE . . . . . 0.736 ' O ' HG23 ' B' ' 100' ' ' ILE . 6.7 t80 -86.59 -43.36 12.74 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.135 . . . . 0.0 111.065 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.854 HD21 ' CE2' ' B' ' 109' ' ' PHE . 97.0 mt -61.98 -24.92 67.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.4 OUTLIER -71.75 -31.44 66.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.363 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 1.8 tp10 -81.19 -26.09 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.736 HG23 ' O ' ' B' ' 96' ' ' PHE . 0.4 OUTLIER -96.52 -20.15 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 101' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 97' ' ' LEU . . . 80.3 66.89 1.61 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' CYS . . . . . 0.841 ' SG ' HD11 ' B' ' 142' ' ' ILE . 32.4 m -140.27 45.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.403 ' O ' HD23 ' B' ' 106' ' ' LEU . 47.3 m -60.28 -18.52 49.76 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 104' ' ' GLN . . . . . 0.479 ' HG2' ' CD1' ' B' ' 105' ' ' TYR . 0.9 OUTLIER -101.55 30.86 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.885 ' CE2' HG11 ' B' ' 133' ' ' VAL . 24.3 m-85 -129.01 2.96 5.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.405 HD11 ' CB ' ' B' ' 94' ' ' GLN . 4.5 mm? -62.19 -65.19 0.73 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.37 -19.18 61.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' SER . . . . . 0.732 ' HB3' HD21 ' B' ' 131' ' ' LEU . 0.3 OUTLIER -85.99 -34.82 20.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.022 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.854 ' CE2' HD21 ' B' ' 97' ' ' LEU . 2.3 m-85 -81.65 -27.7 33.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.647 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 89.7 mt -71.01 -26.37 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' B' ' 108' ' ' SER . 6.5 pt20 -82.16 -37.0 26.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' CYS . . . . . 0.882 ' HB3' HD22 ' B' ' 114' ' ' LEU . 17.2 t -81.45 -29.34 33.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 108.275 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.691 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 18.0 m-20 99.16 42.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.971 ' O ' HG21 ' B' ' 93' ' ' VAL . 0.2 OUTLIER -108.43 35.58 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.647 ' CG1' ' HA ' ' B' ' 110' ' ' ILE . 0.8 OUTLIER -98.39 21.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 116' ' ' THR . . . . . 0.668 HG23 ' H ' ' B' ' 119' ' ' GLU . 3.2 t -135.96 172.32 13.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.519 ' HB3' ' CE2' ' B' ' 149' ' ' PHE . 23.4 mt-10 -100.51 39.11 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -144.62 -48.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.668 ' H ' HG23 ' B' ' 116' ' ' THR . 0.6 OUTLIER -59.69 -40.27 87.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 1.272 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 1.7 pt -72.46 -18.36 18.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.495 ' HB2' ' HB2' ' B' ' 149' ' ' PHE . 10.5 ttpt -76.94 -22.43 53.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.64 42.36 2.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.822 HD22 ' O ' ' B' ' 120' ' ' ILE . 0.2 OUTLIER -119.04 158.59 25.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 124' ' ' ASP . . . . . 0.773 ' O ' HD22 ' B' ' 128' ' ' LEU . 0.0 OUTLIER -120.95 -176.74 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.619 ' HB3' ' CG ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -73.0 -35.24 66.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.596 ' CB ' ' HB2' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -63.51 -33.48 75.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.625 HG21 ' HB2' ' B' ' 123' ' ' LEU . 0.4 OUTLIER -67.06 -35.57 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.988 ' O ' HG22 ' B' ' 133' ' ' VAL . 0.7 OUTLIER -74.03 -53.21 10.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.462 HG22 ' O ' ' B' ' 126' ' ' ASP . 2.4 tt -54.19 -39.37 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.91 -28.72 35.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 131' ' ' LEU . . . . . 0.946 ' CD2' HG13 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -57.24 -27.71 62.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 132' ' ' GLY . . . . . 0.675 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 140.11 -11.07 3.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.107 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.988 HG22 ' O ' ' B' ' 128' ' ' LEU . 14.4 m -88.93 65.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 134' ' ' ASN . . . . . 0.405 ' HA ' HG12 ' B' ' 129' ' ' ILE . 12.8 p30 -55.66 -16.19 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 135' ' ' LYS . . . . . 0.526 ' O ' ' NH2' ' B' ' 139' ' ' ARG . 0.1 OUTLIER -64.95 96.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.675 HD12 HD12 ' A' ' 46' ' ' ILE . 13.1 pt -68.37 145.09 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 137' ' ' GLY . . . . . 0.549 ' O ' ' N ' ' B' ' 139' ' ' ARG . . . 121.54 -90.01 0.44 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.462 1.101 . . . . 0.0 111.081 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 138' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' B' ' 137' ' ' GLY . 0.2 OUTLIER -34.52 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 139' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' B' ' 137' ' ' GLY . 0.0 OUTLIER -46.12 -35.7 5.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 140' ' ' LEU . . . . . 0.864 ' O ' HD23 ' B' ' 140' ' ' LEU . 2.8 tt -65.33 -37.64 87.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 141' ' ' LYS . . . . . 0.613 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -61.64 -51.09 69.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.176 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.841 HD11 ' SG ' ' B' ' 102' ' ' CYS . 38.3 mt -65.5 -17.72 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' B' ' 125' ' ' LYS . 0.2 OUTLIER -69.02 -39.84 79.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -77.19 -47.24 20.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 110.25 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 145' ' ' LYS . . . . . 0.623 ' HD2' HG22 ' B' ' 100' ' ' ILE . 5.3 mmtt -61.76 -40.5 95.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 146' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 143' ' ' LEU . 17.9 p -52.9 -31.0 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.396 1.06 . . . . 0.0 110.05 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 147' ' ' LYS . . . . . 0.457 ' C ' ' N ' ' B' ' 149' ' ' PHE . 0.0 OUTLIER -79.18 -18.72 52.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 148' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 50.1 m -44.28 -23.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 0.0 109.965 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 149' ' ' PHE . . . . . 1.272 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 68.7 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.53 0.205 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.846 HG21 ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -58.39 -19.65 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -62.4 -40.05 95.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 12' ' ' LEU . 6.2 tt -71.11 -36.06 72.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.812 ' O ' HG23 ' A' ' 17' ' ' ILE . 64.1 t80 -77.03 -42.39 38.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.073 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.992 HD11 ' CD2' ' A' ' 26' ' ' PHE . 11.6 mt -68.55 -25.05 64.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -77.78 -39.17 44.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 13' ' ' PHE . 2.2 pt-20 -69.85 -23.65 63.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.209 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.812 HG23 ' O ' ' A' ' 13' ' ' PHE . 5.8 pt -96.15 -15.79 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.89 70.41 1.35 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 1.036 ' SG ' HD11 ' A' ' 59' ' ' ILE . 18.6 m -147.86 35.62 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -54.65 -21.28 10.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.529 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -101.23 34.73 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.612 ' CG ' ' HB3' ' A' ' 19' ' ' CYS . 8.2 m-85 -129.74 3.73 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.7 mt -60.98 -63.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.92 -18.58 57.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.704 ' HB3' HD21 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -86.37 -35.85 19.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.992 ' CD2' HD11 ' A' ' 14' ' ' LEU . 3.5 m-85 -84.18 -29.84 26.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.561 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 41.7 mt -70.51 -25.81 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.549 ' CG ' ' O ' ' A' ' 25' ' ' SER . 9.2 pt20 -79.79 -39.26 31.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 1.07 . . . . 0.0 110.366 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.673 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 48.3 t -80.48 -31.55 37.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 108.318 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.673 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 50.4 t30 98.42 49.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.228 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.847 HD11 HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -116.11 33.25 5.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 0.0 109.279 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER -95.57 21.31 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.363 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.778 HG23 ' H ' ' A' ' 36' ' ' GLU . 2.3 t -134.95 166.22 23.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.527 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 23.8 mt-10 -95.17 36.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 3.7 tt0 -143.22 -48.5 0.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.778 ' H ' HG23 ' A' ' 33' ' ' THR . 55.8 mm-40 -55.15 -39.97 70.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.365 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -71.05 -29.59 37.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 2.9 ptpt -81.6 -11.98 58.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -117.91 35.91 4.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.847 HD13 HD11 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -141.63 -175.88 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.91 ' HB3' HD21 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -114.51 -169.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.56 ' CG ' ' HB3' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -97.84 -30.38 12.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.613 ' CG ' ' HA ' ' B' ' 140' ' ' LEU . 2.4 m-20 -62.84 -32.31 73.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.575 ' CD1' ' CD1' ' B' ' 140' ' ' LEU . 1.1 mp -64.6 -32.47 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.905 HD13 HD13 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.34 -44.09 97.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.645 HD11 ' CD1' ' B' ' 136' ' ' ILE . 0.1 OUTLIER -64.08 -34.07 66.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.428 ' HB2' HH21 ' B' ' 139' ' ' ARG . . . -79.05 -28.54 43.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.23 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.043 HD22 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -54.14 -25.56 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.22 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.768 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 140.76 2.79 1.39 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.043 HG23 HD22 ' A' ' 48' ' ' LEU . 21.8 t -89.32 89.85 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -83.08 -15.7 49.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.51 98.93 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.406 1.066 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.42 ' H ' HG23 ' A' ' 53' ' ' ILE . 1.3 pt -67.64 140.67 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 123.82 -96.3 0.53 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 58' ' ' LYS . 47.8 t0 -36.77 -30.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.527 ' HB3' ' HZ1' ' A' ' 42' ' ' LYS . 2.3 mtp180 -47.99 -34.4 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.969 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -68.48 -32.87 73.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.8 OUTLIER -60.73 -50.54 73.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.036 HD11 ' SG ' ' A' ' 19' ' ' CYS . 52.5 mt -63.73 -28.5 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.606 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -53.51 -40.92 65.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -76.61 -35.96 57.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.667 ' CG ' HG21 ' A' ' 17' ' ' ILE . 6.0 mptt -58.3 -50.21 74.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.504 ' HB2' ' O ' ' A' ' 37' ' ' ILE . 54.1 p -52.54 -31.67 36.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 66' ' ' PHE . 10.7 mttp -78.73 -24.25 44.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.593 1.183 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 46.0 m -49.08 -20.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.957 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.911 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 93.5 m-85 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.932 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 18.6 tm0? -62.69 -37.67 87.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -68.42 -28.94 67.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 96' ' ' PHE . . . . . 0.651 ' HE2' HD12 ' B' ' 120' ' ' ILE . 1.3 t80 -86.47 -45.35 11.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.936 HD21 ' CD2' ' B' ' 109' ' ' PHE . 4.5 mp -60.83 -28.74 69.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -68.96 -33.39 73.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 1.2 tp10 -69.77 -31.24 69.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.7 HD12 HG12 ' B' ' 142' ' ' ILE . 5.7 pt -96.4 -13.43 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.07 67.84 1.45 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' CYS . . . . . 0.867 ' SG ' HD11 ' B' ' 142' ' ' ILE . 56.7 m -138.05 40.24 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 27.8 m -59.46 -23.41 62.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' GLN . . . . . 0.648 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 19.9 pm0 -101.19 33.05 3.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.648 ' CE1' ' HG2' ' B' ' 104' ' ' GLN . 3.3 m-85 -128.17 1.13 5.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.548 ' C ' HD12 ' B' ' 110' ' ' ILE . 1.9 mp -56.58 -68.32 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.23 -18.32 60.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.8 m -83.02 -39.83 20.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.06 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.936 ' CD2' HD21 ' B' ' 97' ' ' LEU . 2.3 m-85 -77.72 -40.85 39.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' ILE . . . . . 0.548 HD12 ' C ' ' B' ' 106' ' ' LEU . 4.3 mt -64.01 -23.56 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -73.83 -51.2 17.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' CYS . . . . . 0.716 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 7.9 t -76.41 -27.64 56.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 108.225 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.716 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 21.2 m-20 103.75 53.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.932 ' O ' HG21 ' B' ' 93' ' ' VAL . 0.8 OUTLIER -116.48 21.83 13.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.376 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.804 HG22 ' O ' ' B' ' 115' ' ' VAL . 1.8 p -93.94 38.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 3.2 p -150.85 155.77 39.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 0.0 110.389 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.485 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 6.4 mp0 -89.14 39.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.502 ' HA ' ' HB3' ' B' ' 121' ' ' LYS . 1.9 tt0 -147.08 -46.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.329 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' B' ' 113' ' ' ASN . 0.1 OUTLIER -56.97 -48.09 79.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 110.374 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.933 ' HA ' HD22 ' B' ' 123' ' ' LEU . 3.6 pt -75.47 -13.04 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.56 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 0.1 OUTLIER -76.99 -18.18 58.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -135.66 41.63 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.955 HD12 ' CG2' ' B' ' 127' ' ' ILE . 0.0 OUTLIER -119.22 159.28 24.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 124' ' ' ASP . . . . . 0.527 ' HB3' HD13 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -100.71 -173.43 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 125' ' ' LYS . . . . . 0.581 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 0.3 OUTLIER -89.59 -35.81 15.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 126' ' ' ASP . . . . . 0.599 ' CB ' ' CB ' ' A' ' 57' ' ' LEU . 0.8 OUTLIER -66.41 -21.7 66.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.955 ' CG2' HD12 ' B' ' 123' ' ' LEU . 0.2 OUTLIER -76.81 -40.37 31.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.603 ' O ' HG12 ' B' ' 133' ' ' VAL . 3.6 pp -79.46 -44.94 20.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 129' ' ' ILE . . . . . 0.525 ' CG2' ' HA ' ' B' ' 126' ' ' ASP . 0.0 OUTLIER -48.89 -37.28 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -77.74 -27.83 50.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 131' ' ' LEU . . . . . 0.922 ' C ' HD23 ' B' ' 131' ' ' LEU . 0.0 OUTLIER -54.09 -27.74 34.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.357 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 132' ' ' GLY . . . . . 0.868 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 132.43 21.83 0.91 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.565 1.165 . . . . 0.0 110.985 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.873 HG12 HD22 ' B' ' 131' ' ' LEU . 2.3 p -120.62 75.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 134' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' B' ' 136' ' ' ILE . 13.9 p-10 -84.39 -16.68 41.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -40.89 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.645 ' CD1' HD11 ' A' ' 46' ' ' ILE . 1.1 mp -60.47 129.25 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 137' ' ' GLY . . . . . 0.526 ' H ' ' CG ' ' B' ' 139' ' ' ARG . . . 118.26 -97.22 0.71 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.555 1.159 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 138' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' B' ' 141' ' ' LYS . 20.1 m-20 -38.22 -31.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 139' ' ' ARG . . . . . 0.551 ' C ' ' OD1' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -47.31 -34.26 6.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 140' ' ' LEU . . . . . 0.613 ' HA ' ' CG ' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -72.94 -34.31 66.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.393 1.058 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 141' ' ' LYS . . . . . 0.491 ' CD ' ' C ' ' B' ' 141' ' ' LYS . 0.0 OUTLIER -56.77 -53.14 61.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 142' ' ' ILE . . . . . 0.867 HD11 ' SG ' ' B' ' 102' ' ' CYS . 14.0 mt -58.01 -36.23 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.91 HD21 ' HB3' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -64.07 -36.95 85.67 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -80.02 -47.11 15.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.363 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 145' ' ' LYS . . . . . 0.559 ' HG3' HG22 ' B' ' 100' ' ' ILE . 1.2 mmtt -63.89 -35.64 81.32 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 146' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' B' ' 143' ' ' LEU . 3.1 p -52.3 -30.5 28.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.973 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 147' ' ' LYS . . . . . 0.476 ' C ' ' N ' ' B' ' 149' ' ' PHE . 6.6 mtpt -82.26 -15.49 52.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 148' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 71.5 m -44.69 -19.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.906 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 149' ' ' PHE . . . . . 0.713 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 89.7 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 107.89 2.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.53 40.72 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.085 HG13 HD22 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -59.72 -21.4 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -61.17 -33.67 73.8 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.404 1.065 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.566 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -70.55 -39.02 74.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.236 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 20.8 t80 -79.48 -43.0 24.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.172 HD21 ' CD2' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -64.48 -27.01 68.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 5.5 mt-10 -76.84 -25.3 53.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.522 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.19 -25.8 39.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.566 1.166 . . . . 0.0 110.247 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.522 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 15.2 pt -98.12 -11.44 8.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.71 67.62 1.48 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.128 . . . . 0.0 111.085 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.713 ' SG ' HD11 ' A' ' 59' ' ' ILE . 30.2 m -137.49 39.67 2.44 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 m -59.31 -23.85 62.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.563 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -101.38 31.46 3.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.779 ' CD2' HG11 ' A' ' 50' ' ' VAL . 16.6 m-85 -129.68 7.71 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.068 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -66.6 -66.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.99 -17.48 57.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.418 1.074 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.643 ' CB ' HD21 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -83.58 -47.78 10.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.35 1.031 . . . . 0.0 110.082 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.172 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.9 m-85 -67.77 -41.6 83.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.462 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 20.6 mt -62.37 -23.64 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 28' ' ' GLN . 24.5 tp60 -74.55 -45.82 43.02 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.701 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 28.8 t -82.89 -27.79 30.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 108.263 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.701 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 13.1 m-20 100.36 61.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.661 ' O ' HG21 ' A' ' 10' ' ' VAL . 1.9 mm? -124.08 32.19 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.241 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 32' ' ' VAL . 2.0 m -95.89 19.66 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.082 . . . . 0.0 109.239 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.418 ' OG1' ' HB2' ' A' ' 36' ' ' GLU . 1.1 p -126.34 156.81 39.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.485 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.581 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 24.3 mt-10 -87.35 35.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.23 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 10.5 pt-20 -147.43 -44.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.655 ' HB3' HD13 ' A' ' 31' ' ' LEU . 11.4 mm-40 -51.98 -44.33 63.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.868 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 1.4 pt -75.71 -18.38 15.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HB2' ' CB ' ' A' ' 66' ' ' PHE . 6.6 ttpp -72.15 -17.15 61.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -130.25 41.7 3.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.877 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -118.33 164.66 14.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.666 ' OD2' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -117.28 176.36 5.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.987 ' O ' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -72.93 -37.86 67.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.783 ' HA ' ' CG2' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -63.1 -28.23 69.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.666 HD12 ' OD2' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -71.08 -37.18 66.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.701 HD13 ' NH2' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -72.99 -54.15 9.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.072 . . . . 0.0 109.365 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.987 HG22 ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -53.38 -37.4 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.45 -27.14 56.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.063 ' CD2' HG13 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -61.9 -27.97 69.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.738 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 131.1 21.67 1.06 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.556 1.16 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.063 HG13 ' CD2' ' A' ' 48' ' ' LEU . 2.9 m -122.1 72.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.73 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -71.79 -13.63 61.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -48.28 99.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.239 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.781 HG23 HD11 ' B' ' 129' ' ' ILE . 37.3 mm -66.85 138.24 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 115.66 -95.21 0.69 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' GLY . 20.8 t70 -37.67 -31.18 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 0.797 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.701 ' NH2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -49.55 -42.22 43.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.427 1.079 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.743 HD11 HD12 ' B' ' 127' ' ' ILE . 6.7 tt -63.62 -38.54 91.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 0.0 109.323 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -55.07 39.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.59 1.181 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.713 HD11 ' SG ' ' A' ' 19' ' ' CYS . 3.3 mt -54.9 -36.55 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.12 . . . . 0.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.666 HD21 ' CB ' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -61.12 -37.18 81.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -51.89 11.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 65' ' ' SER . 7.2 mmtt -61.26 -34.07 74.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 m -51.73 -36.39 46.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -76.85 -18.2 58.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 10.5 t -49.41 -17.23 0.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.459 1.099 . . . . 0.0 109.923 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.868 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 86.8 m-85 -91.11 135.36 33.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -118.32 -65.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 158.51 42.64 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.467 1.772 . . . . 0.0 111.073 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -155.27 82.19 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.921 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER -57.12 -19.49 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -62.24 -41.59 98.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.712 ' C ' HD13 ' B' ' 95' ' ' LEU . 1.0 OUTLIER -68.26 -23.4 64.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 96' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' B' ' 145' ' ' LYS . 3.2 t80 -84.92 -43.2 14.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.781 HD23 HD11 ' B' ' 100' ' ' ILE . 72.8 mt -65.64 -26.34 67.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' B' ' 95' ' ' LEU . 0.9 OUTLIER -64.59 -32.84 74.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 2.3 tt0 -80.0 -33.72 39.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.339 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.781 HD11 HD23 ' B' ' 97' ' ' LEU . 9.3 pt -97.42 24.21 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.215 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' B' ' 100' ' ' ILE . . . 32.08 76.89 0.03 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' B' ' 105' ' ' TYR . 67.4 m -142.12 45.54 1.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.4 ' O ' HD13 ' B' ' 106' ' ' LEU . 23.0 m -60.8 -19.34 59.36 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.6 1.188 . . . . 0.0 110.34 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' GLN . . . . . 0.606 ' HG3' ' CE1' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -96.09 24.12 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.321 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.728 ' CD2' HG11 ' B' ' 133' ' ' VAL . 31.1 m-85 -128.29 20.6 6.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.448 ' O ' HG13 ' B' ' 110' ' ' ILE . 9.4 mp -79.81 -67.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.27 -17.32 63.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.168 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' SER . . . . . 0.563 ' CB ' HD21 ' B' ' 131' ' ' LEU . 5.5 p -81.87 -39.08 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.711 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 2.9 m-85 -76.73 -38.3 54.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.475 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 80.2 mt -61.76 -24.23 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 0.0 109.396 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -81.24 -44.02 18.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' CYS . . . . . 0.676 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 8.2 t -78.59 -28.83 45.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 108.253 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.676 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 6.9 m-20 97.61 65.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.921 ' O ' HG21 ' B' ' 93' ' ' VAL . 92.3 mt -133.3 32.6 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 115' ' ' VAL . 2.0 m -94.69 18.48 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' THR . . . . . 0.514 ' O ' HD13 ' B' ' 120' ' ' ILE . 77.7 m -127.26 158.85 36.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.434 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.559 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 29.3 mt-10 -88.57 25.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -136.85 -44.48 0.58 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.25 -42.9 61.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.448 1.093 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.859 HG22 HD22 ' B' ' 114' ' ' LEU . 0.4 OUTLIER -69.02 -30.38 46.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.553 1.158 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.53 ' CB ' ' HB2' ' B' ' 149' ' ' PHE . 0.0 OUTLIER -83.94 -13.07 54.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.38 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' B' ' 118' ' ' GLU . 0.2 OUTLIER -119.33 41.14 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.967 HD13 ' C ' ' B' ' 123' ' ' LEU . 0.0 OUTLIER -144.23 -168.8 2.97 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.584 1.178 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ASP . . . . . 0.721 ' N ' HD13 ' B' ' 123' ' ' LEU . 5.2 m-20 -121.27 -175.03 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.706 ' HA ' HD12 ' B' ' 128' ' ' LEU . 0.0 OUTLIER -93.25 -33.78 13.82 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.7 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -61.28 -16.75 48.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.743 HD12 HD11 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -76.33 -38.69 33.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' B' ' 125' ' ' LYS . 1.2 mt -63.35 -53.57 50.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.814 HG21 ' HE2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -52.39 -38.28 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 130' ' ' ALA . . . . . 0.75 ' N ' HD13 ' B' ' 129' ' ' ILE . . . -79.08 -28.33 43.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 1.064 ' CD2' HG13 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -55.24 -28.04 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.339 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 132' ' ' GLY . . . . . 0.683 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 130.29 22.13 1.12 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.552 1.157 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 1.064 HG13 ' CD2' ' B' ' 131' ' ' LEU . 3.4 m -119.73 77.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 109.314 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' B' ' 136' ' ' ILE . 8.5 p30 -76.14 -15.73 60.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.551 ' O ' ' CD ' ' B' ' 139' ' ' ARG . 10.9 mtpt -46.9 90.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.941 HD13 HD11 ' A' ' 46' ' ' ILE . 85.0 mt -57.61 134.53 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.433 1.083 . . . . 0.0 109.218 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 137' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' B' ' 140' ' ' LEU . . . 117.36 -94.6 0.63 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' B' ' 137' ' ' GLY . 1.7 m-20 -37.35 -34.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 0.731 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 139' ' ' ARG . . . . . 0.717 HH21 HG13 ' B' ' 129' ' ' ILE . 0.0 OUTLIER -49.33 -39.41 31.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.342 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 140' ' ' LEU . . . . . 0.74 HD12 ' HB3' ' A' ' 43' ' ' ASP . 3.8 tt -66.91 -35.9 81.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 141' ' ' LYS . . . . . 0.429 ' HE2' ' CA ' ' B' ' 100' ' ' ILE . 0.0 OUTLIER -59.94 -53.38 58.54 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.555 HG21 HD22 ' B' ' 128' ' ' LEU . 4.0 mt -55.6 -34.23 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.581 ' HB3' ' O ' ' B' ' 140' ' ' LEU . 0.2 OUTLIER -55.62 -44.82 77.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -76.57 -40.78 48.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' LYS . . . . . 0.537 ' CG ' HG21 ' B' ' 100' ' ' ILE . 36.1 mmtt -61.89 -40.89 96.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 146' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' B' ' 120' ' ' ILE . 29.7 m -52.74 -34.04 50.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 110.024 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.467 ' C ' ' N ' ' B' ' 149' ' ' PHE . 63.8 mttt -79.32 -16.58 56.13 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 148' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 27.9 t -43.09 -22.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 149' ' ' PHE . . . . . 0.856 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 42.1 m-85 -92.38 124.02 36.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 111.052 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -100.42 -23.26 14.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 0.0 110.349 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.594 ' O ' ' CE2' ' A' ' 9' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' C ' ' CD2' ' A' ' 9' ' ' PHE . 18.5 Cg_endo -74.92 -175.63 2.45 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.421 1.748 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -160.21 115.51 2.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.72 HG21 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -58.76 -21.1 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 27.6 tt0 -62.48 -38.54 90.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 1.072 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.615 ' C ' HD13 ' A' ' 12' ' ' LEU . 2.7 tm? -70.4 -39.61 74.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.234 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 9.8 t80 -74.33 -38.15 63.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.938 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.85 HD11 ' CD2' ' A' ' 26' ' ' PHE . 11.3 mt -67.19 -33.76 76.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.841 ' CG ' HG22 ' A' ' 20' ' ' THR . 2.7 mt-10 -72.02 -25.11 61.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.21 -29.47 38.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.588 1.18 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.619 HD11 ' CD2' ' A' ' 14' ' ' LEU . 6.8 pt -96.93 -9.09 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.96 77.38 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.835 ' SG ' HD11 ' A' ' 59' ' ' ILE . 66.1 m -153.8 37.95 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.841 HG22 ' CG ' ' A' ' 15' ' ' GLU . 73.3 p -58.33 -24.73 60.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.612 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 5.5 pm0 -101.7 36.11 2.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.622 ' CD1' ' HA ' ' A' ' 19' ' ' CYS . 5.0 m-85 -130.51 4.66 4.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 111.058 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 20' ' ' THR . 9.2 mp -59.64 -66.85 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.372 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.93 -18.49 60.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.527 ' HB3' HD21 ' A' ' 48' ' ' LEU . 1.8 m -81.02 -47.97 12.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.031 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.85 ' CD2' HD11 ' A' ' 14' ' ' LEU . 3.8 m-85 -71.45 -39.92 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.485 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 36.7 mt -63.38 -23.68 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -76.94 -41.49 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.672 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 53.9 t -83.15 -28.63 29.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 108.25 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.672 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 13.0 m-20 98.55 53.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.842 HD11 HD23 ' A' ' 40' ' ' LEU . 1.1 mm? -119.02 33.43 5.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 32' ' ' VAL . 2.0 m -94.57 18.89 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.563 ' O ' HD13 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -125.31 159.3 32.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.366 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.631 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 18.9 mt-10 -91.29 34.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.218 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 8.4 mt-10 -148.13 -44.96 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -53.66 -39.94 65.48 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.595 1.185 . . . . 0.0 110.227 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.922 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -69.02 -28.9 41.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.495 ' CB ' ' HB2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -83.9 -13.45 53.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.05 44.63 1.9 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.842 HD23 HD11 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -141.87 -169.33 2.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 1.073 ' HB2' HD13 ' A' ' 44' ' ' ILE . 28.3 m-20 -115.68 -174.47 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.811 ' O ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -82.71 -43.47 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.666 ' CG ' ' HB2' ' B' ' 140' ' ' LEU . 5.6 t70 -64.36 -25.81 68.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.077 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 1.073 HD13 ' HB2' ' A' ' 41' ' ' ASP . 1.4 mp -56.65 -40.06 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.976 HD22 HG21 ' A' ' 59' ' ' ILE . 1.1 mt -79.41 -49.06 12.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.165 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.938 HG22 ' HG2' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -55.64 -38.02 48.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.14 -24.65 47.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.914 HD23 ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -53.89 -30.32 45.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.914 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 147.36 -11.42 1.35 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.357 1.035 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.886 HG12 HD22 ' A' ' 48' ' ' LEU . 2.3 p -87.3 83.84 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -82.04 -17.78 45.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.588 ' CG ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -51.78 98.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.24 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.734 HG23 HD11 ' B' ' 129' ' ' ILE . 30.9 mt -62.2 136.61 25.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 117.99 -94.71 0.61 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.593 1.183 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' GLY . 2.0 m-20 -37.28 -30.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 0.798 . . . . 0.0 109.293 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.938 ' HG2' HG22 ' A' ' 46' ' ' ILE . 6.9 mtp180 -47.85 -50.84 25.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.592 ' HB2' ' CG ' ' B' ' 126' ' ' ASP . 5.5 tt -50.85 -45.24 59.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -53.9 -53.29 54.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.244 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.976 HG21 HD22 ' A' ' 45' ' ' LEU . 31.7 mt -55.04 -39.84 51.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.804 HD21 ' CG ' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -63.63 -33.97 76.8 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.53 -45.52 30.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.525 ' CE ' HG22 ' A' ' 17' ' ' ILE . 17.7 mmtm -61.53 -39.61 91.66 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 51.0 m -51.93 -32.79 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.085 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -76.78 -19.68 57.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.465 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 46.9 m -53.22 -16.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.922 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 97.0 m-85 -92.86 124.19 36.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 8.1 mt-30 -118.51 -81.64 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.134 . . . . 0.0 110.236 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.507 HD12 ' HD2' ' B' ' 92' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 95.63 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' PHE . . . . . 0.771 ' HB3' HD23 ' B' ' 95' ' ' LEU . 0.1 OUTLIER -149.43 52.18 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 111.007 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.962 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.4 OUTLIER -57.81 -24.19 22.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.424 1.077 . . . . 0.0 109.361 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 94' ' ' GLN . . . . . 0.682 ' HB2' HD11 ' B' ' 106' ' ' LEU . 1.3 tm0? -62.78 -40.6 97.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.771 HD23 ' HB3' ' B' ' 92' ' ' PHE . 0.2 OUTLIER -64.85 -25.63 67.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 96' ' ' PHE . . . . . 0.641 ' O ' HG23 ' B' ' 100' ' ' ILE . 6.1 t80 -87.45 -43.14 12.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.704 HD13 ' HB2' ' B' ' 105' ' ' TYR . 18.3 mt -61.58 -24.58 66.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.239 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -69.72 -31.82 70.03 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 6.9 tp10 -80.58 -27.93 37.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.399 1.062 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.645 HG22 ' HD2' ' B' ' 145' ' ' LYS . 0.3 OUTLIER -95.2 -17.89 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.236 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' B' ' 97' ' ' LEU . . . 81.37 66.86 1.57 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' CYS . . . . . 0.851 ' SG ' HD11 ' B' ' 142' ' ' ILE . 61.1 m -143.41 40.71 1.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 3.0 m -58.78 -21.6 56.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' GLN . . . . . 0.545 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 18.8 pm0 -102.79 34.74 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.761 ' CD2' HG11 ' B' ' 133' ' ' VAL . 6.1 m-85 -128.84 3.48 5.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' B' ' 94' ' ' GLN . 3.8 mm? -63.02 -65.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.226 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.35 -16.85 9.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' SER . . . . . 0.8 ' HB3' HD21 ' B' ' 131' ' ' LEU . 0.4 OUTLIER -90.66 -39.83 12.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 110.004 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.74 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 3.4 m-85 -76.27 -37.87 56.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.671 ' HA ' HG12 ' B' ' 115' ' ' VAL . 57.0 mt -60.72 -24.76 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.215 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -81.02 -45.52 16.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' CYS . . . . . 0.688 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 42.2 t -72.49 -27.4 62.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.155 . . . . 0.0 108.257 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.688 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 10.5 m-20 99.46 45.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.962 ' O ' HG21 ' B' ' 93' ' ' VAL . 68.7 mt -116.65 40.36 2.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.671 HG12 ' HA ' ' B' ' 110' ' ' ILE . 0.5 OUTLIER -101.22 12.25 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 6.0 p -123.6 161.63 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.458 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.51 ' HB3' ' CE2' ' B' ' 149' ' ' PHE . 27.6 mt-10 -89.89 31.21 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.25 -45.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.33 -44.22 54.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.839 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 0.6 OUTLIER -74.15 -25.87 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.4 1.062 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.533 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 4.6 ttpm? -68.18 -17.65 64.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -130.36 39.36 3.65 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.722 HD22 ' O ' ' B' ' 120' ' ' ILE . 0.3 OUTLIER -121.75 175.31 6.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.237 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 124' ' ' ASP . . . . . 0.804 ' CG ' HD21 ' A' ' 60' ' ' LEU . 68.8 m-20 -122.38 -168.25 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.234 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 1.057 ' O ' HG23 ' B' ' 129' ' ' ILE . 0.0 OUTLIER -87.91 -38.27 15.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.187 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.637 ' H ' ' HZ3' ' A' ' 42' ' ' LYS . 6.2 t70 -62.63 -19.64 63.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.408 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.61 ' CG2' HD12 ' B' ' 123' ' ' LEU . 0.7 OUTLIER -76.22 -40.35 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.981 HD22 ' CG2' ' B' ' 142' ' ' ILE . 0.4 OUTLIER -77.11 -42.1 39.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 1.057 HG23 ' O ' ' B' ' 125' ' ' LYS . 0.7 OUTLIER -59.28 -39.77 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 130' ' ' ALA . . . . . 0.533 ' N ' HD12 ' B' ' 129' ' ' ILE . . . -78.53 -26.22 45.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 109.379 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 1.061 HD22 HG13 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -55.61 -29.53 59.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.586 1.179 . . . . 0.0 109.33 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 132' ' ' GLY . . . . . 0.789 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 133.26 22.59 0.79 Allowed Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 1.061 HG13 HD22 ' B' ' 131' ' ' LEU . 2.5 m -121.5 79.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.382 0.696 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' B' ' 136' ' ' ILE . 15.1 p30 -76.32 -16.7 59.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.494 ' O ' ' HD3' ' B' ' 139' ' ' ARG . 21.3 mttp -46.51 91.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.397 1.061 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' B' ' 134' ' ' ASN . 3.8 mt -58.48 128.45 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 137' ' ' GLY . . . . . 0.653 ' O ' ' N ' ' B' ' 140' ' ' LEU . . . 123.74 -96.01 0.53 Allowed Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.447 1.092 . . . . 0.0 111.049 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.451 ' O ' ' HG3' ' B' ' 141' ' ' LYS . 1.4 m-20 -36.39 -50.91 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 0.73 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 139' ' ' ARG . . . . . 0.866 HH21 ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -44.54 -28.06 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 140' ' ' LEU . . . . . 0.773 ' HA ' HD23 ' B' ' 143' ' ' LEU . 2.5 tt -68.23 -53.96 21.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 141' ' ' LYS . . . . . 0.556 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -53.51 -35.88 61.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.981 ' CG2' HD22 ' B' ' 128' ' ' LEU . 9.8 mt -56.23 -49.38 76.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.773 HD23 ' HA ' ' B' ' 140' ' ' LEU . 0.8 OUTLIER -61.39 -30.03 70.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.241 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -51.66 9.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 145' ' ' LYS . . . . . 0.645 ' HD2' HG22 ' B' ' 100' ' ' ILE . 0.8 OUTLIER -66.5 -28.79 68.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 146' ' ' SER . . . . . 0.594 ' OG ' HD21 ' B' ' 123' ' ' LEU . 17.5 m -54.0 -31.73 51.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.469 ' C ' ' N ' ' B' ' 149' ' ' PHE . 2.0 mtpt -78.66 -15.95 57.88 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 148' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 35.6 t -46.62 -19.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.987 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 149' ' ' PHE . . . . . 0.839 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 94.0 m-85 -91.43 137.31 32.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -119.91 -45.79 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.466 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 3.9 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.557 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 18.2 Cg_endo -75.01 143.5 29.09 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 8' ' ' PRO . 22.8 m-85 -146.31 67.99 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.031 HG21 ' O ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -57.65 -23.41 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -62.81 -40.84 98.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 12' ' ' LEU . 3.3 tt -71.83 -24.85 61.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.628 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 31.4 t80 -80.11 -41.63 25.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.646 HD13 ' HB2' ' A' ' 22' ' ' TYR . 4.8 mt -68.81 -30.68 69.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.03 -35.49 81.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.432 1.082 . . . . 0.0 110.248 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -80.45 -32.47 37.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.573 HD12 HG12 ' A' ' 59' ' ' ILE . 2.1 pt -99.13 25.9 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.348 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' ILE . . . 34.01 83.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.533 1.145 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.59 ' SG ' HD11 ' A' ' 59' ' ' ILE . 48.6 m -153.37 32.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -55.39 -18.91 7.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.493 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 7.7 pt20 -98.93 29.08 3.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.646 ' HB2' HD13 ' A' ' 14' ' ' LEU . 9.6 m-85 -128.35 1.53 5.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 27' ' ' ILE . 2.7 mm? -63.52 -65.45 0.68 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.378 1.048 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -16.41 17.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.634 ' HB3' HD21 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -91.26 -41.91 10.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.374 1.046 . . . . 0.0 109.927 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.718 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 2.4 m-85 -70.21 -40.33 74.63 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.614 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 29.1 mt -62.97 -24.27 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -75.54 -46.67 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.701 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 39.7 t -79.0 -29.19 43.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 108.292 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.701 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 22.4 m-20 101.36 56.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.031 ' O ' HG21 ' A' ' 10' ' ' VAL . 1.3 mm? -120.3 35.61 4.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.406 1.066 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER -98.17 21.25 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.418 1.074 . . . . 0.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.1 m -133.15 161.12 35.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.448 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.516 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 35.1 mt-10 -89.71 22.85 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -132.27 -44.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 110.362 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' HB3' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -53.79 -44.49 70.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.809 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 1.2 pt -72.95 -18.59 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.552 ' HB2' ' HB2' ' A' ' 66' ' ' PHE . 5.6 tttm -77.7 -17.34 57.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.402 1.064 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -123.43 42.08 3.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.402 1.064 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.806 HD22 ' O ' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -134.9 156.88 48.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.371 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.501 ' CG ' HD21 ' B' ' 143' ' ' LEU . 2.7 m-20 -100.32 -160.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.934 ' HD2' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -93.54 -42.22 9.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.775 ' O ' HG22 ' A' ' 46' ' ' ILE . 8.0 t0 -61.8 -29.68 70.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.52 HG21 ' HB2' ' A' ' 40' ' ' LEU . 1.1 mp -60.68 -37.2 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.771 HD23 HD13 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -81.27 -41.15 22.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.775 HG22 ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -49.54 -38.55 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.18 -25.52 47.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.898 HD23 ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -58.77 -28.84 66.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.231 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.768 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 140.58 -5.91 2.64 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.672 HG12 HD22 ' A' ' 48' ' ' LEU . 3.0 p -94.05 72.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 0.0 109.391 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -77.59 -17.09 58.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.433 ' NZ ' ' HB3' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -51.3 102.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.715 HG23 ' CD1' ' B' ' 129' ' ' ILE . 39.0 mt -64.9 134.15 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 121.22 -94.89 0.55 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.479 1.112 . . . . 0.0 111.052 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 54' ' ' GLY . 2.8 m-20 -35.24 -32.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.637 HH21 ' CD1' ' B' ' 129' ' ' ILE . 2.5 ttp-105 -48.07 -32.1 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.261 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.622 ' HB2' ' CB ' ' B' ' 126' ' ' ASP . 0.2 OUTLIER -70.71 -34.48 71.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.593 ' HG3' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.07 -51.27 70.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.593 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 27.7 mt -63.2 -24.16 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.223 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.938 HD11 ' OD1' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -65.53 -41.82 92.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -41.34 46.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.628 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 40.7 mmtt -61.68 -45.2 95.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 37' ' ' ILE . 4.3 p -50.45 -30.44 12.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.125 . . . . 0.0 110.058 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -79.98 -22.51 42.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 62' ' ' LYS . 53.0 m -41.85 -25.05 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.809 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 41.8 m-85 -93.38 124.99 37.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.92 -30.32 6.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.081 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.403 ' N ' ' HD3' ' B' ' 91' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' PRO . . . . . 0.544 ' C ' ' CG ' ' B' ' 92' ' ' PHE . 18.5 Cg_endo -74.87 -89.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.472 1.775 . . . . 0.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' PHE . . . . . 0.544 ' CG ' ' C ' ' B' ' 91' ' ' PRO . 0.1 OUTLIER -159.7 125.22 4.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 111.073 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.894 HG13 HD22 ' B' ' 97' ' ' LEU . 0.4 OUTLIER -57.17 -22.7 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.401 1.063 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 94' ' ' GLN . . . . . 0.548 ' CG ' HD11 ' B' ' 106' ' ' LEU . 61.3 mt-30 -62.64 -42.64 99.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.373 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.817 HD13 ' O ' ' B' ' 95' ' ' LEU . 2.6 tm? -66.02 -24.69 66.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' PHE . . . . . 0.718 ' CE1' HG21 ' B' ' 100' ' ' ILE . 2.8 t80 -87.97 -43.69 11.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 1.01 HD21 ' CD2' ' B' ' 109' ' ' PHE . 0.6 OUTLIER -60.11 -24.01 64.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -73.71 -32.5 63.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 4.0 tt0 -78.91 -25.01 43.75 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.788 HG22 ' HD2' ' B' ' 145' ' ' LYS . 0.6 OUTLIER -95.44 -15.97 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.84 67.49 1.51 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.422 1.076 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' CYS . . . . . 0.61 ' HA ' ' CD1' ' B' ' 105' ' ' TYR . 93.8 m -139.32 37.06 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 60.6 p -57.32 -24.97 58.43 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.532 1.145 . . . . 0.0 110.489 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' GLN . . . . . 0.583 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 1.4 pm0 -102.78 35.82 2.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.61 ' CD1' ' HA ' ' B' ' 102' ' ' CYS . 6.5 m-85 -128.98 3.48 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.548 HD11 ' CG ' ' B' ' 94' ' ' GLN . 0.1 OUTLIER -61.82 -65.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.4 -16.04 20.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' SER . . . . . 0.537 ' HB3' HD21 ' B' ' 131' ' ' LEU . 12.4 m -89.29 -47.96 7.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 1.01 ' CD2' HD21 ' B' ' 97' ' ' LEU . 2.6 m-85 -68.38 -40.52 81.38 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.6 1.187 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.518 HG13 ' O ' ' B' ' 106' ' ' LEU . 14.8 mt -65.01 -23.67 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -72.45 -51.97 17.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' CYS . . . . . 0.655 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 33.4 t -81.49 -27.44 34.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.417 1.073 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.655 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 1.6 m-20 96.52 63.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.943 HD11 HD23 ' B' ' 123' ' ' LEU . 0.5 OUTLIER -115.82 17.5 16.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.339 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.816 HG22 ' O ' ' B' ' 115' ' ' VAL . 1.3 p -109.32 51.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.234 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' THR . . . . . 0.46 ' O ' ' N ' ' B' ' 118' ' ' GLU . 19.6 m -138.21 20.1 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.598 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 19.0 mt-10 34.1 36.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.246 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' B' ' 116' ' ' THR . 16.8 tt0 -155.7 -44.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -37.43 78.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.829 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 0.5 OUTLIER -67.61 -26.05 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.521 ' CB ' ' HB2' ' B' ' 149' ' ' PHE . 1.3 pttt -85.35 -13.76 48.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.407 1.067 . . . . 0.0 109.25 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -116.69 42.81 2.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.943 HD23 HD11 ' B' ' 114' ' ' LEU . 0.1 OUTLIER -143.48 -169.32 3.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 124' ' ' ASP . . . . . 0.938 ' OD1' HD11 ' A' ' 60' ' ' LEU . 30.3 m-20 -121.93 -171.81 2.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.84 ' HG3' ' HZ2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -85.98 -34.58 20.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.676 ' HB2' ' HZ1' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -64.87 -27.2 68.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.61 ' CG2' HD22 ' B' ' 123' ' ' LEU . 1.1 mp -67.99 -37.73 78.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' B' ' 124' ' ' ASP . 1.9 mm? -69.13 -52.99 22.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.715 ' CD1' HG23 ' A' ' 53' ' ' ILE . 2.3 pp -60.71 -32.11 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.2 -29.36 48.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 1.05 HD22 HG23 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -58.08 -27.22 63.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 132' ' ' GLY . . . . . 0.852 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 133.53 37.72 0.23 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.57 1.169 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 1.05 HG23 HD22 ' B' ' 131' ' ' LEU . 4.4 t -123.51 74.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.45 0.735 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ASN . . . . . 0.546 ' C ' HH21 ' B' ' 139' ' ' ARG . 2.0 m-20 -66.65 -17.31 64.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' B' ' 139' ' ' ARG . 23.9 mttp -54.68 97.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 109.25 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.496 ' HA ' ' CD ' ' B' ' 139' ' ' ARG . 66.4 mt -66.78 129.8 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 137' ' ' GLY . . . . . 0.531 ' O ' ' OD1' ' A' ' 43' ' ' ASP . . . 117.96 -97.11 0.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' B' ' 141' ' ' LYS . 1.0 OUTLIER -36.59 -34.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.744 . . . . 0.0 109.334 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 139' ' ' ARG . . . . . 0.742 ' HD3' ' HZ1' ' B' ' 125' ' ' LYS . 4.4 ptp180 -45.86 -34.55 3.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 140' ' ' LEU . . . . . 0.785 ' O ' HD23 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -75.88 -34.54 60.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 141' ' ' LYS . . . . . 0.693 ' N ' HD23 ' B' ' 140' ' ' LEU . 0.0 OUTLIER -52.86 -43.93 66.44 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.564 HD11 ' SG ' ' B' ' 102' ' ' CYS . 84.5 mt -63.79 -43.34 97.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.394 1.059 . . . . 0.0 109.222 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.785 HD23 ' O ' ' B' ' 140' ' ' LEU . 0.0 OUTLIER -57.5 -26.87 61.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -50.72 8.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 145' ' ' LYS . . . . . 0.788 ' HD2' HG22 ' B' ' 100' ' ' ILE . 0.1 OUTLIER -64.81 -31.5 72.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 146' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' B' ' 143' ' ' LEU . 1.5 p -51.19 -31.73 21.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 109.997 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' B' ' 149' ' ' PHE . 36.4 mtmt -79.15 -17.65 54.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.42 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 148' ' ' SER . . . . . 0.508 ' N ' ' O ' ' B' ' 145' ' ' LYS . 48.7 m -50.73 -18.5 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.956 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 149' ' ' PHE . . . . . 0.829 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 87.9 m-85 -91.76 -175.08 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.066 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 150' ' ' GLN . . . . . 0.447 ' O ' ' O ' ' B' ' 149' ' ' PHE . 2.4 mt-30 -37.26 -93.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.369 1.043 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.236 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.411 ' O ' ' OE2' ' A' ' 34' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 90.78 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.79 59.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.761 HG21 ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -58.08 -19.97 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 57.6 mt-30 -61.63 -41.08 96.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.62 -39.18 67.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 6.9 t80 -71.88 -41.33 68.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.991 HD11 ' CD2' ' A' ' 26' ' ' PHE . 10.5 mt -65.08 -37.77 88.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 3.1 mt-10 -70.04 -34.8 73.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -29.05 68.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 110.232 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.569 HD11 HD23 ' A' ' 14' ' ' LEU . 19.2 pt -96.92 -9.38 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.92 73.1 1.26 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.439 1.087 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.819 ' SG ' HD11 ' A' ' 59' ' ' ILE . 97.8 m -146.65 36.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.437 ' OG1' ' CG ' ' A' ' 15' ' ' GLU . 3.7 m -57.66 -22.52 46.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 3.3 pt20 -101.83 34.61 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.075 . . . . 0.0 110.338 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.594 ' CG ' ' HB3' ' A' ' 19' ' ' CYS . 7.3 m-85 -129.17 5.4 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 27' ' ' ILE . 20.9 mt -57.11 -68.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -64.97 -17.87 64.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.758 ' HB3' HD11 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -78.61 -55.45 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.991 ' CD2' HD11 ' A' ' 14' ' ' LEU . 1.7 m-85 -66.01 -39.26 90.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.97 HG12 HG21 ' A' ' 32' ' ' VAL . 49.4 mt -62.47 -24.39 35.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -74.69 -39.24 62.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.639 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 18.1 t -89.2 -28.46 19.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.639 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 3.1 m-20 95.09 55.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.761 ' O ' HG21 ' A' ' 10' ' ' VAL . 14.0 mt -113.18 22.85 13.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.97 HG21 HG12 ' A' ' 27' ' ' ILE . 5.0 t -94.28 37.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -139.66 143.9 37.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.671 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 30.8 mt-10 -80.32 17.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -131.05 -46.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 2.3 mm-40 -58.87 -42.5 89.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.168 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 2.3 pt -73.53 -18.93 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.553 ' HB2' ' CB ' ' A' ' 66' ' ' PHE . 1.5 ttpm? -85.65 -16.5 38.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -123.88 44.4 2.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.736 HD22 ' O ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -129.72 175.22 9.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.464 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 1.5 m-20 -103.53 175.52 5.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.837 ' O ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -84.23 -31.79 24.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.649 ' HB3' HD12 ' B' ' 140' ' ' LEU . 0.3 OUTLIER -79.41 -15.51 57.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.183 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 1.015 HD12 HD11 ' B' ' 140' ' ' LEU . 0.1 OUTLIER -72.4 -39.55 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.811 HD22 HG22 ' A' ' 59' ' ' ILE . 2.8 pp -70.49 -49.67 45.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.016 HG21 ' NZ ' ' B' ' 125' ' ' LYS . 0.8 OUTLIER -50.46 -35.6 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.523 ' N ' HG13 ' A' ' 46' ' ' ILE . . . -77.96 -27.39 49.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.758 HD11 ' HB3' ' A' ' 25' ' ' SER . 0.3 OUTLIER -53.38 -29.26 33.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.404 1.065 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.21 -14.65 1.67 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.152 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.607 HG12 ' HG ' ' A' ' 48' ' ' LEU . 2.2 p -86.05 75.98 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.523 ' OD1' HD11 ' B' ' 136' ' ' ILE . 8.4 t30 -79.44 -15.31 58.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 19.8 mtpp -48.75 98.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.862 HG23 ' CD1' ' B' ' 129' ' ' ILE . 57.4 mt -62.39 131.91 27.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 120.45 -96.5 0.62 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.552 1.157 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' GLY . 15.2 t70 -36.29 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.999 ' NH2' HD13 ' B' ' 129' ' ' ILE . 2.4 mtp180 -47.12 -35.1 6.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.6 1.188 . . . . 0.0 110.357 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.593 ' HB2' ' CB ' ' B' ' 126' ' ' ASP . 10.0 tt -63.69 -36.21 83.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -61.89 -54.94 35.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.819 HD11 ' SG ' ' A' ' 19' ' ' CYS . 45.2 mt -58.0 -28.83 34.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.691 HD21 ' CG ' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -62.22 -40.88 97.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.1 mmt-85 -77.89 -40.37 40.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.231 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 23.4 mmtm -58.31 -43.28 88.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 37' ' ' ILE . 89.0 p -51.29 -37.82 49.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -78.94 -18.5 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 10.2 t -47.06 -19.2 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.611 1.195 . . . . 0.0 110.021 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 1.168 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 91.0 m-85 -91.32 121.51 33.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 111.052 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.99 -145.57 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.313 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.272 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.551 1.816 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.3 51.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.867 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER -58.73 -20.49 16.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -60.81 -40.34 92.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.631 HD13 ' O ' ' B' ' 95' ' ' LEU . 2.1 tm? -68.61 -23.9 64.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' B' ' 145' ' ' LYS . 4.1 t80 -85.34 -43.77 13.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.768 HD23 HD11 ' B' ' 100' ' ' ILE . 64.9 mt -62.8 -27.63 69.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -70.25 -31.93 69.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.494 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 5.8 tt0 -77.97 -26.91 49.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.316 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.768 HD11 HD23 ' B' ' 97' ' ' LEU . 1.0 OUTLIER -96.09 -20.2 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 97' ' ' LEU . . . 80.45 67.26 1.57 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' CYS . . . . . 0.713 ' SG ' HD11 ' B' ' 142' ' ' ILE . 91.3 m -142.31 44.64 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -60.76 -17.94 51.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -102.18 31.87 3.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 1.078 ' CD2' HG11 ' B' ' 133' ' ' VAL . 11.9 m-85 -129.14 1.87 5.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.453 ' O ' HG13 ' B' ' 110' ' ' ILE . 9.4 mp -67.45 -60.58 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.48 -18.06 10.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' SER . . . . . 0.69 ' HB2' HD21 ' B' ' 131' ' ' LEU . 0.0 OUTLIER -94.4 -39.22 10.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.675 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 2.6 m-85 -73.52 -39.31 64.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.586 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 45.8 mt -61.31 -25.0 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -80.2 -43.87 20.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' CYS . . . . . 0.651 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 32.2 t -75.61 -29.04 59.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 108.326 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.651 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 4.2 m-20 95.01 49.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.868 HD22 HG22 ' B' ' 120' ' ' ILE . 85.2 mt -114.81 30.88 7.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.586 ' CG1' ' HA ' ' B' ' 110' ' ' ILE . 1.2 m -95.61 21.61 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 44.2 p -125.86 157.59 37.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 110.363 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.55 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 25.0 mt-10 -89.69 32.79 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' B' ' 121' ' ' LYS . 1.8 mp0 -143.32 -44.79 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.442 ' HA ' ' CE1' ' B' ' 122' ' ' TYR . 1.7 mt-10 -53.11 -44.16 67.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.868 HG22 HD22 ' B' ' 114' ' ' LEU . 0.6 OUTLIER -76.17 -18.91 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.498 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 21.8 ttpp -72.65 -17.38 61.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 0.714 ' CG ' ' O ' ' B' ' 122' ' ' TYR . 0.6 OUTLIER -134.34 37.52 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.92 HD11 HD22 ' B' ' 128' ' ' LEU . 0.0 OUTLIER -116.87 166.45 12.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.371 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 124' ' ' ASP . . . . . 0.691 ' CG ' HD21 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -113.29 -169.73 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 1.016 ' NZ ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -91.21 -38.6 12.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.318 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.612 ' HA ' ' CG1' ' B' ' 129' ' ' ILE . 2.4 t70 -55.96 -28.28 56.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.785 ' CG2' HD12 ' B' ' 123' ' ' LEU . 0.7 OUTLIER -72.32 -37.67 59.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.92 HD22 HD11 ' B' ' 123' ' ' LEU . 0.5 OUTLIER -68.46 -57.13 6.3 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.999 HD13 ' NH2' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -50.89 -36.47 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.7 -27.06 55.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.919 ' C ' HD23 ' B' ' 131' ' ' LEU . 0.0 OUTLIER -62.19 -26.74 68.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.192 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 132' ' ' GLY . . . . . 0.827 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 129.96 17.38 1.66 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 1.078 HG11 ' CD2' ' B' ' 105' ' ' TYR . 31.6 m -122.09 71.66 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.804 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' B' ' 136' ' ' ILE . 15.5 t30 -71.62 -13.67 61.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' B' ' 139' ' ' ARG . 34.8 mttp -40.77 97.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.523 HD11 ' OD1' ' A' ' 51' ' ' ASN . 8.8 mt -68.03 128.96 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 137' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' B' ' 138' ' ' ASP . . . 122.71 -98.89 0.63 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.546 ' O ' ' CG ' ' B' ' 141' ' ' LYS . 12.4 t70 -37.56 -35.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 139' ' ' ARG . . . . . 0.744 HH21 ' HB ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -48.39 -31.66 6.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.259 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 140' ' ' LEU . . . . . 1.015 HD11 HD12 ' A' ' 44' ' ' ILE . 7.2 tt -68.25 -35.0 77.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 141' ' ' LYS . . . . . 0.672 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -61.95 -42.37 99.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.744 ' HB ' HH21 ' B' ' 139' ' ' ARG . 9.6 mt -64.75 -35.22 74.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.844 HD13 ' C ' ' B' ' 143' ' ' LEU . 0.3 OUTLIER -64.71 -34.74 79.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 144' ' ' ARG . . . . . 0.407 ' N ' HD13 ' B' ' 143' ' ' LEU . 0.3 OUTLIER -81.15 -49.58 10.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 145' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' B' ' 148' ' ' SER . 10.2 mttp -63.68 -33.01 74.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 146' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' B' ' 142' ' ' ILE . 4.4 m -52.86 -32.75 46.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.476 ' C ' ' N ' ' B' ' 149' ' ' PHE . 3.8 ptpt -80.09 -15.94 56.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 148' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 67.8 m -43.13 -21.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.048 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 149' ' ' PHE . . . . . 0.752 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 87.2 m-85 -90.67 133.61 35.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 150' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' B' ' 151' ' ' ARG . 2.7 pt20 -119.75 -148.69 0.42 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 151' ' ' ARG . . . . . 0.424 ' N ' ' HG3' ' B' ' 150' ' ' GLN . 2.0 ptt-85 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 88.4 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -145.75 48.46 1.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.638 HG11 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -59.04 -21.43 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.93 -36.91 84.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tt -70.09 -37.83 75.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 10.8 t80 -76.83 -40.21 48.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.806 ' CD2' HD11 ' A' ' 17' ' ' ILE . 7.4 mt -65.51 -37.26 86.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -66.57 -24.87 66.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -81.24 -28.99 34.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.355 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.806 HD11 ' CD2' ' A' ' 14' ' ' LEU . 5.7 pt -97.1 -10.73 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 14' ' ' LEU . . . 83.29 67.63 1.46 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.423 1.077 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.986 ' SG ' HD11 ' A' ' 59' ' ' ILE . 56.1 m -143.97 38.95 1.33 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 t -59.7 -20.24 55.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.408 1.068 . . . . 0.0 110.443 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.616 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 18.5 pm0 -101.03 30.92 3.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 1.03 ' CD2' HG11 ' A' ' 50' ' ' VAL . 6.5 m-85 -127.44 3.12 6.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 mt -56.79 -68.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -63.63 -18.7 64.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.686 ' HB3' HD21 ' A' ' 48' ' ' LEU . 3.8 m -78.86 -52.32 8.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.073 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.763 ' CD2' HD11 ' A' ' 14' ' ' LEU . 2.4 m-85 -68.26 -38.72 82.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.703 ' HA ' HG12 ' A' ' 32' ' ' VAL . 33.1 mt -65.17 -23.53 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -72.89 -54.49 8.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.245 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.614 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 32.1 t -67.73 -59.49 3.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 108.289 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 11.3 p30 146.18 40.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.638 ' O ' HG11 ' A' ' 10' ' ' VAL . 1.4 mm? -112.64 51.14 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.703 HG12 ' HA ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -111.12 11.34 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.517 HG22 ' H ' ' A' ' 34' ' ' GLU . 3.8 m -126.29 178.37 5.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.482 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.525 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 28.1 mt-10 -105.54 43.05 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.4 -46.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.95 -42.27 65.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.292 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.853 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.8 OUTLIER -73.42 -18.07 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HB2' ' HB2' ' A' ' 66' ' ' PHE . 21.8 ttpp -75.49 -17.41 60.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -130.99 44.49 2.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.848 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -121.0 169.82 10.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.206 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.769 ' OD1' HD21 ' B' ' 143' ' ' LEU . 51.6 m-20 -121.29 161.0 22.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.644 ' HG2' ' CG ' ' B' ' 125' ' ' LYS . 2.5 tttt -65.0 -41.25 95.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.633 ' CB ' ' HB3' ' B' ' 140' ' ' LEU . 2.7 t70 -62.18 -23.53 66.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.579 HD12 HD22 ' B' ' 140' ' ' LEU . 0.4 OUTLIER -75.53 -35.05 31.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.699 ' O ' HG22 ' A' ' 50' ' ' VAL . 1.4 mt -77.44 -51.03 11.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.664 HD12 ' NH1' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -48.81 -38.63 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.11 -26.5 53.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.348 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.871 HD23 ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -59.53 -26.92 65.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.825 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 129.66 19.49 1.47 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.03 HG11 ' CD2' ' A' ' 22' ' ' TYR . 27.7 m -122.16 74.46 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.532 ' O ' ' C ' ' A' ' 52' ' ' LYS . 3.0 m-80 -69.2 -14.78 63.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -30.44 96.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.672 ' HA ' HH21 ' A' ' 56' ' ' ARG . 2.0 mt -72.89 120.99 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 119.13 -93.24 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 54' ' ' GLY . 18.0 t0 -34.98 -31.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.672 HH21 ' HA ' ' A' ' 53' ' ' ILE . 23.8 mtm180 -45.87 -33.86 3.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.825 HD13 ' C ' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -63.02 -43.67 98.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.618 1.199 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -54.44 -51.94 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.986 HD11 ' SG ' ' A' ' 19' ' ' CYS . 4.5 mt -55.05 -29.84 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -67.01 -42.59 84.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -75.46 -49.2 19.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 65' ' ' SER . 23.8 mmtm -58.42 -37.38 75.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 2.6 m -53.32 -37.54 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.464 ' C ' ' N ' ' A' ' 66' ' ' PHE . 2.5 mtmp? -78.01 -17.7 56.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 13.7 t -45.24 -19.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.853 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 97.0 m-85 -92.71 141.45 28.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 68' ' ' ARG . 2.3 pt20 -121.44 -147.9 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.402 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.242 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 73.53 4.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.771 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.41 52.1 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.175 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.627 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.4 OUTLIER -58.39 -19.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.375 1.047 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -42.21 97.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.552 ' C ' HD23 ' B' ' 95' ' ' LEU . 0.9 OUTLIER -64.93 -24.52 67.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 96' ' ' PHE . . . . . 0.507 ' HD2' HG22 ' B' ' 93' ' ' VAL . 2.3 t80 -85.35 -40.1 16.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.811 HD23 HD11 ' B' ' 100' ' ' ILE . 95.7 mt -61.99 -26.67 68.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -64.38 -33.83 76.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 47.5 tt0 -79.79 -33.92 40.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.811 HD11 HD23 ' B' ' 97' ' ' LEU . 4.9 pt -97.33 25.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' B' ' 100' ' ' ILE . . . 32.38 79.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.128 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' CYS . . . . . 0.556 ' HB3' ' CG ' ' B' ' 105' ' ' TYR . 31.1 m -139.72 38.4 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 7.5 m -58.69 -20.99 53.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.367 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' GLN . . . . . 0.589 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 4.6 pm0 -100.95 32.0 3.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.623 ' O ' ' N ' ' B' ' 109' ' ' PHE . 9.1 m-85 -128.42 0.93 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.49 ' N ' HD23 ' B' ' 106' ' ' LEU . 5.5 mt -53.52 -70.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.5 -16.35 62.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' SER . . . . . 0.621 ' HB3' HD21 ' B' ' 131' ' ' LEU . 1.9 m -81.44 -39.72 24.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.687 ' CD1' HD11 ' B' ' 131' ' ' LEU . 2.6 m-85 -85.24 -35.45 21.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.433 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 37.4 mt -64.13 -25.78 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -82.72 -49.91 9.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.157 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' CYS . . . . . 0.657 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 52.0 t -69.03 -30.78 69.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 108.303 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.657 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 3.4 m-20 96.03 43.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.181 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.639 ' HB2' ' CD2' ' B' ' 109' ' ' PHE . 34.6 mt -103.88 16.06 27.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.744 HG22 ' O ' ' B' ' 115' ' ' VAL . 1.9 p -106.96 50.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' THR . . . . . 0.48 ' O ' ' N ' ' B' ' 118' ' ' GLU . 17.3 p -138.36 18.8 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.45 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.543 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 14.7 mt-10 34.6 34.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.536 ' O ' ' CG ' ' B' ' 121' ' ' LYS . 18.0 tp10 -150.35 -45.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -57.59 -38.12 74.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.308 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.81 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 0.5 OUTLIER -70.47 -26.2 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.602 ' CB ' ' HB2' ' B' ' 149' ' ' PHE . 0.0 OUTLIER -72.54 -15.22 61.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.31 33.68 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.808 HD22 ' O ' ' B' ' 120' ' ' ILE . 0.2 OUTLIER -122.5 179.86 4.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 124' ' ' ASP . . . . . 0.494 ' HB3' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -121.07 -161.59 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.918 ' HB3' HD13 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -93.74 -35.48 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.667 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 32.9 t0 -65.99 -29.14 69.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.635 HG21 HD12 ' B' ' 123' ' ' LEU . 1.2 mp -58.52 -33.1 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.531 ' HA ' ' HB3' ' B' ' 131' ' ' LEU . 3.3 mm? -70.98 -48.27 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.559 HG12 ' CZ ' ' B' ' 139' ' ' ARG . 0.2 OUTLIER -50.93 -41.04 21.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.23 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.57 -30.01 59.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.886 HD22 HG23 ' B' ' 133' ' ' VAL . 0.1 OUTLIER -61.5 -28.92 69.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 132' ' ' GLY . . . . . 0.646 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 127.78 42.08 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.886 HG23 HD22 ' B' ' 131' ' ' LEU . 59.2 t -121.65 88.59 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ASN . . . . . 0.414 ' C ' HH21 ' B' ' 139' ' ' ARG . 52.4 t-20 -81.28 -17.84 47.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.487 ' C ' HH21 ' B' ' 139' ' ' ARG . 7.1 ptpp? -67.48 98.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.593 HD12 HD13 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -68.61 138.11 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 137' ' ' GLY . . . . . 0.464 ' O ' ' OD1' ' A' ' 43' ' ' ASP . . . 118.65 -98.42 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' B' ' 137' ' ' GLY . 4.6 m-20 -37.73 -33.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 139' ' ' ARG . . . . . 0.626 HH11 ' NZ ' ' B' ' 125' ' ' LYS . 19.9 ttm180 -47.02 -32.04 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 140' ' ' LEU . . . . . 0.674 HD13 ' OD2' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -75.38 -37.78 60.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 141' ' ' LYS . . . . . 0.578 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -52.58 -42.63 64.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.578 ' N ' ' HG3' ' B' ' 141' ' ' LYS . 96.5 mt -63.43 -43.42 98.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.918 HD13 ' HB3' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -58.07 -28.63 64.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -53.99 6.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 145' ' ' LYS . . . . . 0.696 ' HD3' HG22 ' B' ' 100' ' ' ILE . 0.4 OUTLIER -65.53 -28.82 69.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 146' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' B' ' 123' ' ' LEU . 88.2 p -51.54 -32.72 29.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.462 ' C ' ' N ' ' B' ' 149' ' ' PHE . 6.7 mtmt -78.73 -17.21 56.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 148' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 68.4 m -45.82 -20.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.016 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 149' ' ' PHE . . . . . 0.81 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 78.8 m-85 -92.47 125.7 37.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -117.11 -144.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.467 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 7' ' ' LEU . 18.4 Cg_endo -75.05 137.68 21.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.051 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.64 54.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.856 HG12 HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -58.19 -19.95 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -61.62 -39.79 92.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.412 ' C ' HD23 ' A' ' 12' ' ' LEU . 6.8 tt -68.06 -34.38 76.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.618 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 3.6 t80 -80.4 -36.58 33.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.824 HD11 ' CD2' ' A' ' 26' ' ' PHE . 20.1 mt -70.5 -24.82 62.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -68.13 -39.72 82.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.667 ' HG2' HG23 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -76.38 -31.62 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.667 HG23 ' HG2' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -97.53 26.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' ILE . . . 35.58 88.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.115 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.575 ' SG ' ' CG ' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -141.58 33.94 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 m -57.57 -37.55 73.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.434 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.401 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 6.7 pm0 -96.85 29.86 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CG ' ' SG ' ' A' ' 19' ' ' CYS . 36.5 m-85 -128.53 -0.24 5.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 27' ' ' ILE . 9.6 mp -66.86 -62.61 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.49 -18.23 38.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.699 ' HB3' HD21 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -88.69 -40.62 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.824 ' CD2' HD11 ' A' ' 14' ' ' LEU . 2.7 m-85 -72.5 -39.5 67.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.779 HG12 HG21 ' A' ' 32' ' ' VAL . 14.1 mt -65.22 -24.55 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -71.75 -50.67 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.657 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 35.0 t -81.13 -28.58 35.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.254 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.657 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 12.5 m-20 96.48 64.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.681 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 1.1 mm? -117.26 20.8 13.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.856 HG13 HG12 ' A' ' 10' ' ' VAL . 1.1 t -108.96 48.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.597 1.186 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 35' ' ' GLU . 3.8 m -136.34 17.36 3.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 0.0 110.396 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.566 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 20.2 mt-10 34.89 33.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 18.1 tt0 -147.9 -45.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HB3' HD13 ' A' ' 31' ' ' LEU . 3.4 tp10 -59.98 -39.8 86.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.297 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.876 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -68.79 -18.89 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.621 ' CB ' ' HB2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -83.97 -14.4 50.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.85 43.86 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.729 HD22 ' HA ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -134.58 171.8 13.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.465 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -98.75 -173.06 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.388 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.603 ' CG ' ' CG ' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -92.78 -40.96 10.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.527 ' O ' HG13 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -62.66 -19.16 63.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.658 HG21 HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -67.16 -34.32 68.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.367 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.511 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 2.9 mm? -71.89 -50.1 32.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.866 HD13 ' HB ' ' B' ' 136' ' ' ILE . 0.8 OUTLIER -53.26 -36.31 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.551 ' N ' HG13 ' A' ' 46' ' ' ILE . . . -80.34 -29.62 38.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.759 HD22 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -53.46 -28.16 28.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.732 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 135.65 38.9 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.759 HG23 HD22 ' A' ' 48' ' ' LEU . 6.6 t -123.69 91.53 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -81.47 -16.65 51.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -72.08 97.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.597 ' HB ' HD13 ' B' ' 129' ' ' ILE . 1.6 pt -71.0 118.27 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 145.43 -94.52 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 54' ' ' GLY . 7.0 m-20 -35.57 -33.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 0.788 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.762 ' NE ' HG22 ' A' ' 46' ' ' ILE . 3.4 mtp180 -48.66 -33.45 9.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.062 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -63.86 -40.86 97.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.568 ' HG3' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -56.75 -49.84 74.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.372 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.568 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 83.2 mt -60.85 -35.59 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.812 HD22 HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -56.23 -39.53 72.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -46.43 21.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.246 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.618 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 32.2 mmtt -60.43 -38.89 85.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 56.2 m -50.67 -37.49 41.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.443 ' C ' ' N ' ' A' ' 66' ' ' PHE . 3.0 mppt? -79.18 -19.09 51.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 11.0 t -48.88 -18.49 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.876 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 94.5 m-85 -93.14 121.37 34.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -103.32 -85.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.241 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 136.34 20.1 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' PHE . . . . . 0.638 ' HB3' HD23 ' B' ' 95' ' ' LEU . 0.1 OUTLIER -160.18 40.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.958 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER -58.17 -20.38 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -62.64 -40.79 98.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.638 HD23 ' HB3' ' B' ' 92' ' ' PHE . 0.4 OUTLIER -65.27 -23.83 67.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 96' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' B' ' 145' ' ' LYS . 12.8 t80 -84.63 -42.18 15.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.597 ' CD2' HD11 ' B' ' 100' ' ' ILE . 30.1 mt -63.88 -25.38 68.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 1.4 pp20? -64.28 -34.53 78.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 3.1 tt0 -80.33 -35.47 35.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.597 HD11 ' CD2' ' B' ' 97' ' ' LEU . 19.1 pt -97.06 22.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' B' ' 100' ' ' ILE . . . 30.33 81.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.412 1.07 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' CYS . . . . . 0.828 ' SG ' HD11 ' B' ' 142' ' ' ILE . 32.7 m -137.32 43.49 2.32 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 54.9 m -59.54 -19.1 45.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' GLN . . . . . 0.586 ' HG2' ' CD1' ' B' ' 105' ' ' TYR . 1.7 pt20 -98.31 27.73 4.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.899 ' CE2' HG21 ' B' ' 133' ' ' VAL . 20.0 m-85 -129.0 2.06 5.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.46 -66.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -72.21 -15.56 61.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' SER . . . . . 0.724 ' HB3' HD21 ' B' ' 131' ' ' LEU . 0.8 OUTLIER -78.93 -48.67 14.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.927 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 1.003 ' CE1' HD11 ' B' ' 128' ' ' LEU . 1.7 m-85 -70.33 -35.03 73.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.968 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.925 HG12 HG21 ' B' ' 115' ' ' VAL . 83.7 mt -64.96 -23.28 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -80.81 -48.41 12.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.567 1.167 . . . . 0.0 110.339 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' CYS . . . . . 0.632 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 12.8 t -76.9 -28.86 55.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.632 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 7.2 m-20 94.31 66.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.958 ' O ' HG21 ' B' ' 93' ' ' VAL . 2.3 mt -126.41 23.36 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.925 HG21 HG12 ' B' ' 110' ' ' ILE . 18.1 t -93.12 36.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.52 157.27 45.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.603 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 10.7 mp0 -89.0 32.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' B' ' 121' ' ' LYS . 0.3 OUTLIER -143.52 -47.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -41.93 93.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 1.235 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 1.7 pt -73.68 -18.1 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.506 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 5.4 tptt -75.26 -18.29 60.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 0.439 ' O ' ' CD2' ' B' ' 122' ' ' TYR . 76.0 t80 -128.85 45.06 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.625 HD22 HD22 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -114.46 165.19 13.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 124' ' ' ASP . . . . . 0.561 ' CG ' HD21 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -121.83 -169.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.844 ' HE2' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -91.35 -36.83 13.62 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.638 1.211 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.699 ' CB ' ' HB2' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -62.35 -40.83 97.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.475 HD12 ' CD2' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -67.14 -33.69 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 1.003 HD11 ' CE1' ' B' ' 109' ' ' PHE . 6.3 tp -73.58 -55.04 6.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.648 HD12 ' N ' ' B' ' 130' ' ' ALA . 2.8 pp -54.28 -34.98 28.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 130' ' ' ALA . . . . . 0.648 ' N ' HD12 ' B' ' 129' ' ' ILE . . . -78.28 -26.11 46.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 1.02 HD22 HG23 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -60.67 -25.34 66.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 132' ' ' GLY . . . . . 0.735 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 143.45 -7.04 1.99 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 1.02 HG23 HD22 ' B' ' 131' ' ' LEU . 13.9 t -88.86 64.01 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -59.23 -16.66 22.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.814 ' O ' ' NH1' ' B' ' 139' ' ' ARG . 7.4 mttm -74.77 88.39 2.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.866 ' HB ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -60.69 141.63 16.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 137' ' ' GLY . . . . . 0.55 ' O ' ' N ' ' B' ' 140' ' ' LEU . . . 131.62 -92.58 0.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.646 ' HB3' HH21 ' B' ' 139' ' ' ARG . 0.2 OUTLIER -35.08 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 139' ' ' ARG . . . . . 0.814 ' NH1' ' O ' ' B' ' 135' ' ' LYS . 0.0 OUTLIER -51.33 -33.47 29.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 140' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' B' ' 137' ' ' GLY . 5.3 tp -62.62 -37.42 86.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 141' ' ' LYS . . . . . 0.449 ' HD3' HG22 ' B' ' 100' ' ' ILE . 0.0 OUTLIER -61.58 -52.06 65.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.954 HD12 HD21 ' B' ' 128' ' ' LEU . 1.3 mt -59.84 -25.98 34.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' B' ' 125' ' ' LYS . 1.3 mt -63.54 -41.45 98.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.631 1.207 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -78.19 -46.8 19.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 145' ' ' LYS . . . . . 0.568 ' HB3' ' CZ ' ' B' ' 96' ' ' PHE . 6.1 mmtp -63.71 -37.2 86.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 146' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' B' ' 142' ' ' ILE . 10.3 p -53.24 -31.06 41.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.888 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.47 ' C ' ' N ' ' B' ' 149' ' ' PHE . 1.0 OUTLIER -79.03 -17.72 54.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 148' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 8.9 t -46.63 -19.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.165 . . . . 0.0 109.966 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 149' ' ' PHE . . . . . 1.235 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 97.0 m-85 -92.17 169.72 10.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -59.8 1.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 86.0 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.427 1.751 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.75 39.87 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.053 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.859 HG12 HG13 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -58.65 -20.64 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -62.93 -39.63 95.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.717 ' C ' HD13 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -72.53 -33.98 67.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.629 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 1.8 t80 -80.39 -39.37 28.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.162 HD11 ' CD2' ' A' ' 26' ' ' PHE . 10.8 mt -64.66 -40.0 94.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -72.61 -24.6 61.1 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 9.1 tt0 -77.5 -27.0 51.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.716 HD11 HD23 ' A' ' 14' ' ' LEU . 50.2 pt -96.8 -6.32 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.8 67.96 1.43 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.543 1.152 . . . . 0.0 111.075 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.913 ' SG ' HD11 ' A' ' 59' ' ' ILE . 97.5 m -147.87 34.59 0.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 m -57.9 -22.01 46.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.591 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 8.0 pm0 -102.28 34.18 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.591 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 10.0 m-85 -129.21 8.72 5.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.417 ' O ' HG13 ' A' ' 27' ' ' ILE . 16.0 mt -63.24 -66.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.58 -18.87 33.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.723 ' HB3' HD21 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -84.06 -44.4 14.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.948 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.162 ' CD2' HD11 ' A' ' 14' ' ' LEU . 2.4 m-85 -76.55 -34.99 58.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.741 HG12 HG21 ' A' ' 32' ' ' VAL . 36.2 mt -67.47 -25.3 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -71.91 -51.26 23.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.654 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 34.6 t -79.54 -30.3 41.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 108.32 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.654 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 10.1 t-20 97.24 63.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.867 HD11 HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -115.63 19.68 15.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.859 HG13 HG12 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -107.11 45.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 34' ' ' GLU . 38.3 p -132.17 16.13 4.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.585 1.178 . . . . 0.0 110.357 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.629 ' HG2' HG23 ' A' ' 10' ' ' VAL . 25.0 mt-10 33.42 40.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' CB ' ' HE2' ' A' ' 38' ' ' LYS . 10.0 mt-10 -157.19 -45.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 3.9 mm-40 -60.1 -38.99 84.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.403 1.064 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.85 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -64.24 -25.35 37.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.524 ' CB ' ' HB2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -83.79 -13.33 54.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -118.54 42.23 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.166 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.867 HD23 HD11 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -147.96 -168.15 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.225 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.525 ' HB2' HD12 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -119.26 177.26 4.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.66 ' HZ3' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -89.38 -35.77 15.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.256 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.79 ' O ' HG22 ' A' ' 46' ' ' ILE . 5.4 t70 -64.48 -17.81 64.2 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.683 HD11 HD11 ' B' ' 140' ' ' LEU . 0.2 OUTLIER -73.5 -36.71 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.827 HD23 HD13 ' A' ' 48' ' ' LEU . 1.7 mt -64.1 -41.57 97.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.79 HG22 ' O ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -48.59 -37.13 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.49 -30.75 42.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.029 HD22 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -54.7 -27.1 38.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.723 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 138.56 4.54 1.63 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.029 HG23 HD22 ' A' ' 48' ' ' LEU . 3.0 t -86.73 77.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -78.98 -17.48 55.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -69.76 98.25 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.511 HG22 HH22 ' A' ' 56' ' ' ARG . 2.1 pt -68.7 129.88 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 129.73 -95.17 0.35 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' GLY . 1.8 m-20 -35.78 -31.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.585 0.815 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 54' ' ' GLY . 4.0 mtm-85 -47.84 -33.54 7.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 57' ' ' LEU . 6.0 tt -63.62 -36.12 82.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -61.56 -53.47 55.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.913 HD11 ' SG ' ' A' ' 19' ' ' CYS . 21.8 mt -57.57 -29.39 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.579 ' HB2' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.84 -42.01 98.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.419 ' CZ ' HD21 ' A' ' 57' ' ' LEU . 23.9 mmt85 -76.97 -41.56 42.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.629 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 70.5 mmtt -61.53 -41.24 97.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.237 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.455 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 50.8 m -52.12 -34.76 45.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.042 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 60' ' ' LEU . 23.6 mttt -81.31 -17.52 48.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 18.4 t -53.74 -16.47 1.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.85 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 97.3 m-85 -92.0 -179.97 5.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.413 ' C ' ' HD2' ' A' ' 38' ' ' LYS . 9.2 mt-30 -64.67 -169.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.474 ' O ' ' CE2' ' B' ' 92' ' ' PHE . 1.6 tp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.56 29.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.536 1.808 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' PHE . . . . . 0.551 ' CD1' ' N ' ' B' ' 92' ' ' PHE . 0.1 OUTLIER -152.91 -169.04 3.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.971 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER -57.84 -23.66 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 94' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' B' ' 92' ' ' PHE . 0.0 OUTLIER -62.96 -41.1 99.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.527 ' O ' HD12 ' B' ' 95' ' ' LEU . 0.2 OUTLIER -65.54 -24.77 67.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 96' ' ' PHE . . . . . 0.736 ' O ' HG23 ' B' ' 100' ' ' ILE . 6.7 t80 -86.59 -43.36 12.74 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.135 . . . . 0.0 111.065 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.854 HD21 ' CE2' ' B' ' 109' ' ' PHE . 97.0 mt -61.98 -24.92 67.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.4 OUTLIER -71.75 -31.44 66.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.363 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 1.8 tp10 -81.19 -26.09 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.736 HG23 ' O ' ' B' ' 96' ' ' PHE . 0.4 OUTLIER -96.52 -20.15 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 97' ' ' LEU . . . 80.3 66.89 1.61 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' CYS . . . . . 0.841 ' SG ' HD11 ' B' ' 142' ' ' ILE . 32.4 m -140.27 45.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.403 ' O ' HD23 ' B' ' 106' ' ' LEU . 47.3 m -60.28 -18.52 49.76 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' GLN . . . . . 0.479 ' HG2' ' CD1' ' B' ' 105' ' ' TYR . 0.9 OUTLIER -101.55 30.86 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.885 ' CE2' HG11 ' B' ' 133' ' ' VAL . 24.3 m-85 -129.01 2.96 5.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.405 HD11 ' CB ' ' B' ' 94' ' ' GLN . 4.5 mm? -62.19 -65.19 0.73 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.37 -19.18 61.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' SER . . . . . 0.732 ' HB3' HD21 ' B' ' 131' ' ' LEU . 0.3 OUTLIER -85.99 -34.82 20.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.022 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.854 ' CE2' HD21 ' B' ' 97' ' ' LEU . 2.3 m-85 -81.65 -27.7 33.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.647 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 89.7 mt -71.01 -26.37 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' B' ' 108' ' ' SER . 6.5 pt20 -82.16 -37.0 26.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' CYS . . . . . 0.882 ' HB3' HD22 ' B' ' 114' ' ' LEU . 17.2 t -81.45 -29.34 33.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 108.275 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.691 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 18.0 m-20 99.16 42.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.971 ' O ' HG21 ' B' ' 93' ' ' VAL . 0.2 OUTLIER -108.43 35.58 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.647 ' CG1' ' HA ' ' B' ' 110' ' ' ILE . 0.8 OUTLIER -98.39 21.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 116' ' ' THR . . . . . 0.668 HG23 ' H ' ' B' ' 119' ' ' GLU . 3.2 t -135.96 172.32 13.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.519 ' HB3' ' CE2' ' B' ' 149' ' ' PHE . 23.4 mt-10 -100.51 39.11 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -144.62 -48.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.668 ' H ' HG23 ' B' ' 116' ' ' THR . 0.6 OUTLIER -59.69 -40.27 87.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 1.272 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 1.7 pt -72.46 -18.36 18.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.495 ' HB2' ' HB2' ' B' ' 149' ' ' PHE . 10.5 ttpt -76.94 -22.43 53.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.64 42.36 2.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.822 HD22 ' O ' ' B' ' 120' ' ' ILE . 0.2 OUTLIER -119.04 158.59 25.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 124' ' ' ASP . . . . . 0.773 ' O ' HD22 ' B' ' 128' ' ' LEU . 0.0 OUTLIER -120.95 -176.74 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.619 ' HB3' ' CG ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -73.0 -35.24 66.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.596 ' CB ' ' HB2' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -63.51 -33.48 75.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.625 HG21 ' HB2' ' B' ' 123' ' ' LEU . 0.4 OUTLIER -67.06 -35.57 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.988 ' O ' HG22 ' B' ' 133' ' ' VAL . 0.7 OUTLIER -74.03 -53.21 10.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.462 HG22 ' O ' ' B' ' 126' ' ' ASP . 2.4 tt -54.19 -39.37 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.91 -28.72 35.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.946 ' CD2' HG13 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -57.24 -27.71 62.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 132' ' ' GLY . . . . . 0.675 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 140.11 -11.07 3.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.107 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.988 HG22 ' O ' ' B' ' 128' ' ' LEU . 14.4 m -88.93 65.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ASN . . . . . 0.405 ' HA ' HG12 ' B' ' 129' ' ' ILE . 12.8 p30 -55.66 -16.19 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.526 ' O ' ' NH2' ' B' ' 139' ' ' ARG . 0.1 OUTLIER -64.95 96.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.675 HD12 HD12 ' A' ' 46' ' ' ILE . 13.1 pt -68.37 145.09 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 137' ' ' GLY . . . . . 0.549 ' O ' ' N ' ' B' ' 139' ' ' ARG . . . 121.54 -90.01 0.44 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.462 1.101 . . . . 0.0 111.081 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' B' ' 137' ' ' GLY . 0.2 OUTLIER -34.52 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 139' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' B' ' 137' ' ' GLY . 0.0 OUTLIER -46.12 -35.7 5.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 140' ' ' LEU . . . . . 0.864 ' O ' HD23 ' B' ' 140' ' ' LEU . 2.8 tt -65.33 -37.64 87.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 141' ' ' LYS . . . . . 0.613 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -61.64 -51.09 69.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.176 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.841 HD11 ' SG ' ' B' ' 102' ' ' CYS . 38.3 mt -65.5 -17.72 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' B' ' 125' ' ' LYS . 0.2 OUTLIER -69.02 -39.84 79.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -77.19 -47.24 20.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 110.25 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' LYS . . . . . 0.623 ' HD2' HG22 ' B' ' 100' ' ' ILE . 5.3 mmtt -61.76 -40.5 95.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 146' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 143' ' ' LEU . 17.9 p -52.9 -31.0 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.396 1.06 . . . . 0.0 110.05 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.457 ' C ' ' N ' ' B' ' 149' ' ' PHE . 0.0 OUTLIER -79.18 -18.72 52.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 148' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 50.1 m -44.28 -23.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 0.0 109.965 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 149' ' ' PHE . . . . . 1.272 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 68.7 m-85 -93.56 126.11 38.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -104.9 -25.71 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.377 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.454 ' CB ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.541 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 18.1 Cg_endo -75.0 117.47 4.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.406 1.74 . . . . 0.0 110.974 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.541 ' CD1' ' O ' ' A' ' 8' ' ' PRO . 25.6 m-85 -146.68 87.36 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.846 HG21 ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -58.39 -19.65 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -62.4 -40.05 95.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 12' ' ' LEU . 6.2 tt -71.11 -36.06 72.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.812 ' O ' HG23 ' A' ' 17' ' ' ILE . 64.1 t80 -77.03 -42.39 38.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.073 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.992 HD11 ' CD2' ' A' ' 26' ' ' PHE . 11.6 mt -68.55 -25.05 64.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -77.78 -39.17 44.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 13' ' ' PHE . 2.2 pt-20 -69.85 -23.65 63.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.209 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.812 HG23 ' O ' ' A' ' 13' ' ' PHE . 5.8 pt -96.15 -15.79 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.89 70.41 1.35 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 1.036 ' SG ' HD11 ' A' ' 59' ' ' ILE . 18.6 m -147.86 35.62 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -54.65 -21.28 10.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.529 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -101.23 34.73 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.612 ' CG ' ' HB3' ' A' ' 19' ' ' CYS . 8.2 m-85 -129.74 3.73 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.7 mt -60.98 -63.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.92 -18.58 57.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.704 ' HB3' HD21 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -86.37 -35.85 19.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.992 ' CD2' HD11 ' A' ' 14' ' ' LEU . 3.5 m-85 -84.18 -29.84 26.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.561 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 41.7 mt -70.51 -25.81 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.549 ' CG ' ' O ' ' A' ' 25' ' ' SER . 9.2 pt20 -79.79 -39.26 31.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 1.07 . . . . 0.0 110.366 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.673 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 48.3 t -80.48 -31.55 37.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 108.318 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.673 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 50.4 t30 98.42 49.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.228 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.847 HD11 HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -116.11 33.25 5.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 0.0 109.279 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER -95.57 21.31 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.363 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.778 HG23 ' H ' ' A' ' 36' ' ' GLU . 2.3 t -134.95 166.22 23.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.527 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 23.8 mt-10 -95.17 36.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 3.7 tt0 -143.22 -48.5 0.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.778 ' H ' HG23 ' A' ' 33' ' ' THR . 55.8 mm-40 -55.15 -39.97 70.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.365 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -71.05 -29.59 37.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 2.9 ptpt -81.6 -11.98 58.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -117.91 35.91 4.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.847 HD13 HD11 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -141.63 -175.88 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.91 ' HB3' HD21 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -114.51 -169.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.56 ' CG ' ' HB3' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -97.84 -30.38 12.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.613 ' CG ' ' HA ' ' B' ' 140' ' ' LEU . 2.4 m-20 -62.84 -32.31 73.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.575 ' CD1' ' CD1' ' B' ' 140' ' ' LEU . 1.1 mp -64.6 -32.47 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.905 HD13 HD13 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.34 -44.09 97.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.645 HD11 ' CD1' ' B' ' 136' ' ' ILE . 0.1 OUTLIER -64.08 -34.07 66.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.428 ' HB2' HH21 ' B' ' 139' ' ' ARG . . . -79.05 -28.54 43.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.23 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.043 HD22 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -54.14 -25.56 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.22 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.768 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 140.76 2.79 1.39 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.043 HG23 HD22 ' A' ' 48' ' ' LEU . 21.8 t -89.32 89.85 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -83.08 -15.7 49.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.51 98.93 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.406 1.066 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.42 ' H ' HG23 ' A' ' 53' ' ' ILE . 1.3 pt -67.64 140.67 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 123.82 -96.3 0.53 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 58' ' ' LYS . 47.8 t0 -36.77 -30.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.527 ' HB3' ' HZ1' ' A' ' 42' ' ' LYS . 2.3 mtp180 -47.99 -34.4 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.969 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -68.48 -32.87 73.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.8 OUTLIER -60.73 -50.54 73.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.036 HD11 ' SG ' ' A' ' 19' ' ' CYS . 52.5 mt -63.73 -28.5 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.606 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -53.51 -40.92 65.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -76.61 -35.96 57.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.667 ' CG ' HG21 ' A' ' 17' ' ' ILE . 6.0 mptt -58.3 -50.21 74.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.504 ' HB2' ' O ' ' A' ' 37' ' ' ILE . 54.1 p -52.54 -31.67 36.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 66' ' ' PHE . 10.7 mttp -78.73 -24.25 44.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.593 1.183 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 46.0 m -49.08 -20.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.957 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.911 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 93.5 m-85 -95.55 166.76 11.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -61.03 -138.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.371 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.447 HD23 HD21 ' B' ' 95' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' PRO . . . . . 0.993 ' CD ' HD13 ' B' ' 95' ' ' LEU . 18.0 Cg_endo -75.02 -64.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.553 1.817 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' B' ' 94' ' ' GLN . 0.0 OUTLIER -158.48 -175.8 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.943 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.932 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.4 OUTLIER -58.81 -21.58 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 94' ' ' GLN . . . . . 0.565 ' HB3' ' CD1' ' B' ' 92' ' ' PHE . 18.6 tm0? -62.69 -37.67 87.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.993 HD13 ' CD ' ' B' ' 91' ' ' PRO . 0.0 OUTLIER -68.42 -28.94 67.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 96' ' ' PHE . . . . . 0.651 ' HE2' HD12 ' B' ' 120' ' ' ILE . 1.3 t80 -86.47 -45.35 11.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.936 HD21 ' CD2' ' B' ' 109' ' ' PHE . 4.5 mp -60.83 -28.74 69.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -68.96 -33.39 73.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 1.2 tp10 -69.77 -31.24 69.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.7 HD12 HG12 ' B' ' 142' ' ' ILE . 5.7 pt -96.4 -13.43 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.07 67.84 1.45 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' CYS . . . . . 0.867 ' SG ' HD11 ' B' ' 142' ' ' ILE . 56.7 m -138.05 40.24 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 27.8 m -59.46 -23.41 62.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' GLN . . . . . 0.648 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 19.9 pm0 -101.19 33.05 3.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.648 ' CE1' ' HG2' ' B' ' 104' ' ' GLN . 3.3 m-85 -128.17 1.13 5.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.548 ' C ' HD12 ' B' ' 110' ' ' ILE . 1.9 mp -56.58 -68.32 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.23 -18.32 60.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.8 m -83.02 -39.83 20.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.06 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.936 ' CD2' HD21 ' B' ' 97' ' ' LEU . 2.3 m-85 -77.72 -40.85 39.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.548 HD12 ' C ' ' B' ' 106' ' ' LEU . 4.3 mt -64.01 -23.56 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -73.83 -51.2 17.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' CYS . . . . . 0.716 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 7.9 t -76.41 -27.64 56.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 108.225 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.716 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 21.2 m-20 103.75 53.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.932 ' O ' HG21 ' B' ' 93' ' ' VAL . 0.8 OUTLIER -116.48 21.83 13.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.376 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.804 HG22 ' O ' ' B' ' 115' ' ' VAL . 1.8 p -93.94 38.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 3.2 p -150.85 155.77 39.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 0.0 110.389 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.485 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 6.4 mp0 -89.14 39.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.502 ' HA ' ' HB3' ' B' ' 121' ' ' LYS . 1.9 tt0 -147.08 -46.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.329 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' B' ' 113' ' ' ASN . 0.1 OUTLIER -56.97 -48.09 79.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 110.374 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.933 ' HA ' HD22 ' B' ' 123' ' ' LEU . 3.6 pt -75.47 -13.04 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.56 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 0.1 OUTLIER -76.99 -18.18 58.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -135.66 41.63 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.955 HD12 ' CG2' ' B' ' 127' ' ' ILE . 0.0 OUTLIER -119.22 159.28 24.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 124' ' ' ASP . . . . . 0.527 ' HB3' HD13 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -100.71 -173.43 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 125' ' ' LYS . . . . . 0.581 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 0.3 OUTLIER -89.59 -35.81 15.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ASP . . . . . 0.599 ' CB ' ' CB ' ' A' ' 57' ' ' LEU . 0.8 OUTLIER -66.41 -21.7 66.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.955 ' CG2' HD12 ' B' ' 123' ' ' LEU . 0.2 OUTLIER -76.81 -40.37 31.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.603 ' O ' HG12 ' B' ' 133' ' ' VAL . 3.6 pp -79.46 -44.94 20.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ILE . . . . . 0.525 ' CG2' ' HA ' ' B' ' 126' ' ' ASP . 0.0 OUTLIER -48.89 -37.28 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -77.74 -27.83 50.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.922 ' C ' HD23 ' B' ' 131' ' ' LEU . 0.0 OUTLIER -54.09 -27.74 34.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.357 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 132' ' ' GLY . . . . . 0.868 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 132.43 21.83 0.91 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.565 1.165 . . . . 0.0 110.985 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.873 HG12 HD22 ' B' ' 131' ' ' LEU . 2.3 p -120.62 75.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' B' ' 136' ' ' ILE . 13.9 p-10 -84.39 -16.68 41.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -40.89 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.645 ' CD1' HD11 ' A' ' 46' ' ' ILE . 1.1 mp -60.47 129.25 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 137' ' ' GLY . . . . . 0.526 ' H ' ' CG ' ' B' ' 139' ' ' ARG . . . 118.26 -97.22 0.71 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.555 1.159 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' B' ' 141' ' ' LYS . 20.1 m-20 -38.22 -31.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 139' ' ' ARG . . . . . 0.551 ' C ' ' OD1' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -47.31 -34.26 6.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 140' ' ' LEU . . . . . 0.613 ' HA ' ' CG ' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -72.94 -34.31 66.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.393 1.058 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 141' ' ' LYS . . . . . 0.491 ' CD ' ' C ' ' B' ' 141' ' ' LYS . 0.0 OUTLIER -56.77 -53.14 61.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 142' ' ' ILE . . . . . 0.867 HD11 ' SG ' ' B' ' 102' ' ' CYS . 14.0 mt -58.01 -36.23 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.91 HD21 ' HB3' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -64.07 -36.95 85.67 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -80.02 -47.11 15.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.363 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 145' ' ' LYS . . . . . 0.559 ' HG3' HG22 ' B' ' 100' ' ' ILE . 1.2 mmtt -63.89 -35.64 81.32 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 146' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' B' ' 143' ' ' LEU . 3.1 p -52.3 -30.5 28.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.973 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 147' ' ' LYS . . . . . 0.476 ' C ' ' N ' ' B' ' 149' ' ' PHE . 6.6 mtpt -82.26 -15.49 52.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 148' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 71.5 m -44.69 -19.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.906 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 149' ' ' PHE . . . . . 0.713 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 89.7 m-85 -89.99 146.62 24.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.49 -39.6 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.488 0.185 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.085 HG13 HD22 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -59.72 -21.4 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -61.17 -33.67 73.8 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.404 1.065 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.566 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -70.55 -39.02 74.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.236 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 20.8 t80 -79.48 -43.0 24.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.172 HD21 ' CD2' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -64.48 -27.01 68.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 5.5 mt-10 -76.84 -25.3 53.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.522 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.19 -25.8 39.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.566 1.166 . . . . 0.0 110.247 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.522 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 15.2 pt -98.12 -11.44 8.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.71 67.62 1.48 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.128 . . . . 0.0 111.085 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.713 ' SG ' HD11 ' A' ' 59' ' ' ILE . 30.2 m -137.49 39.67 2.44 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 m -59.31 -23.85 62.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.563 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -101.38 31.46 3.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.779 ' CD2' HG11 ' A' ' 50' ' ' VAL . 16.6 m-85 -129.68 7.71 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.068 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -66.6 -66.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.99 -17.48 57.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.418 1.074 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.643 ' CB ' HD21 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -83.58 -47.78 10.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.35 1.031 . . . . 0.0 110.082 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.172 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.9 m-85 -67.77 -41.6 83.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.462 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 20.6 mt -62.37 -23.64 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -74.55 -45.82 43.02 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.701 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 28.8 t -82.89 -27.79 30.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 108.263 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.701 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 13.1 m-20 100.36 61.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.661 ' O ' HG21 ' A' ' 10' ' ' VAL . 1.9 mm? -124.08 32.19 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.241 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 32' ' ' VAL . 2.0 m -95.89 19.66 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.082 . . . . 0.0 109.239 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.418 ' OG1' ' HB2' ' A' ' 36' ' ' GLU . 1.1 p -126.34 156.81 39.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.485 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.581 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 24.3 mt-10 -87.35 35.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.23 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 10.5 pt-20 -147.43 -44.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.655 ' HB3' HD13 ' A' ' 31' ' ' LEU . 11.4 mm-40 -51.98 -44.33 63.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.868 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 1.4 pt -75.71 -18.38 15.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HB2' ' CB ' ' A' ' 66' ' ' PHE . 6.6 ttpp -72.15 -17.15 61.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -130.25 41.7 3.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.877 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -118.33 164.66 14.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.666 ' OD2' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -117.28 176.36 5.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.987 ' O ' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -72.93 -37.86 67.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.783 ' HA ' ' CG2' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -63.1 -28.23 69.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.666 HD12 ' OD2' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -71.08 -37.18 66.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.701 HD13 ' NH2' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -72.99 -54.15 9.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.072 . . . . 0.0 109.365 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.987 HG22 ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -53.38 -37.4 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.45 -27.14 56.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.063 ' CD2' HG13 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -61.9 -27.97 69.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.738 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 131.1 21.67 1.06 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.556 1.16 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.063 HG13 ' CD2' ' A' ' 48' ' ' LEU . 2.9 m -122.1 72.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.73 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -71.79 -13.63 61.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -48.28 99.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.239 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.781 HG23 HD11 ' B' ' 129' ' ' ILE . 37.3 mm -66.85 138.24 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 115.66 -95.21 0.69 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' GLY . 20.8 t70 -37.67 -31.18 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 0.797 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.701 ' NH2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -49.55 -42.22 43.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.427 1.079 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.743 HD11 HD12 ' B' ' 127' ' ' ILE . 6.7 tt -63.62 -38.54 91.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 0.0 109.323 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -55.07 39.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.59 1.181 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.713 HD11 ' SG ' ' A' ' 19' ' ' CYS . 3.3 mt -54.9 -36.55 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.12 . . . . 0.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.666 HD21 ' CB ' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -61.12 -37.18 81.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -51.89 11.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 65' ' ' SER . 7.2 mmtt -61.26 -34.07 74.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 m -51.73 -36.39 46.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -76.85 -18.2 58.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 10.5 t -49.41 -17.23 0.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.459 1.099 . . . . 0.0 109.923 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.868 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 86.8 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.921 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -62.24 -41.59 98.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.712 ' C ' HD13 ' B' ' 95' ' ' LEU . 1.0 OUTLIER -68.26 -23.4 64.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' B' ' 145' ' ' LYS . 3.2 t80 -84.92 -43.2 14.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.781 HD23 HD11 ' B' ' 100' ' ' ILE . 72.8 mt -65.64 -26.34 67.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' B' ' 95' ' ' LEU . 0.9 OUTLIER -64.59 -32.84 74.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 2.3 tt0 -80.0 -33.72 39.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.339 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.781 HD11 HD23 ' B' ' 97' ' ' LEU . 9.3 pt -97.42 24.21 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.215 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' B' ' 100' ' ' ILE . . . 32.08 76.89 0.03 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' B' ' 105' ' ' TYR . 67.4 m -142.12 45.54 1.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.4 ' O ' HD13 ' B' ' 106' ' ' LEU . 23.0 m -60.8 -19.34 59.36 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.6 1.188 . . . . 0.0 110.34 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . 0.606 ' HG3' ' CE1' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -96.09 24.12 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.321 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.728 ' CD2' HG11 ' B' ' 133' ' ' VAL . 31.1 m-85 -128.29 20.6 6.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.448 ' O ' HG13 ' B' ' 110' ' ' ILE . 9.4 mp -79.81 -67.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.27 -17.32 63.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.168 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . 0.563 ' CB ' HD21 ' B' ' 131' ' ' LEU . 5.5 p -81.87 -39.08 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.711 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 2.9 m-85 -76.73 -38.3 54.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.475 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 80.2 mt -61.76 -24.23 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 0.0 109.396 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -81.24 -44.02 18.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . 0.676 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 8.2 t -78.59 -28.83 45.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 108.253 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.676 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 6.9 m-20 97.61 65.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.921 ' O ' HG21 ' B' ' 93' ' ' VAL . 92.3 mt -133.3 32.6 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 115' ' ' VAL . 2.0 m -94.69 18.48 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' THR . . . . . 0.514 ' O ' HD13 ' B' ' 120' ' ' ILE . 77.7 m -127.26 158.85 36.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.434 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.559 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 29.3 mt-10 -88.57 25.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -136.85 -44.48 0.58 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.25 -42.9 61.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.448 1.093 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.859 HG22 HD22 ' B' ' 114' ' ' LEU . 0.4 OUTLIER -69.02 -30.38 46.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.553 1.158 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.53 ' CB ' ' HB2' ' B' ' 149' ' ' PHE . 0.0 OUTLIER -83.94 -13.07 54.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.38 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' B' ' 118' ' ' GLU . 0.2 OUTLIER -119.33 41.14 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.967 HD13 ' C ' ' B' ' 123' ' ' LEU . 0.0 OUTLIER -144.23 -168.8 2.97 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.584 1.178 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' ASP . . . . . 0.721 ' N ' HD13 ' B' ' 123' ' ' LEU . 5.2 m-20 -121.27 -175.03 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.706 ' HA ' HD12 ' B' ' 128' ' ' LEU . 0.0 OUTLIER -93.25 -33.78 13.82 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.7 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -61.28 -16.75 48.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.743 HD12 HD11 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -76.33 -38.69 33.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' B' ' 125' ' ' LYS . 1.2 mt -63.35 -53.57 50.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.814 HG21 ' HE2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -52.39 -38.28 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . 0.75 ' N ' HD13 ' B' ' 129' ' ' ILE . . . -79.08 -28.33 43.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . 1.064 ' CD2' HG13 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -55.24 -28.04 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.339 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . 0.683 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 130.29 22.13 1.12 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.552 1.157 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 1.064 HG13 ' CD2' ' B' ' 131' ' ' LEU . 3.4 m -119.73 77.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 109.314 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' B' ' 136' ' ' ILE . 8.5 p30 -76.14 -15.73 60.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . 0.551 ' O ' ' CD ' ' B' ' 139' ' ' ARG . 10.9 mtpt -46.9 90.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.941 HD13 HD11 ' A' ' 46' ' ' ILE . 85.0 mt -57.61 134.53 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.433 1.083 . . . . 0.0 109.218 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 137' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' B' ' 140' ' ' LEU . . . 117.36 -94.6 0.63 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' B' ' 137' ' ' GLY . 1.7 m-20 -37.35 -34.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 0.731 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' ARG . . . . . 0.717 HH21 HG13 ' B' ' 129' ' ' ILE . 0.0 OUTLIER -49.33 -39.41 31.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.342 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . 0.74 HD12 ' HB3' ' A' ' 43' ' ' ASP . 3.8 tt -66.91 -35.9 81.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' LYS . . . . . 0.429 ' HE2' ' CA ' ' B' ' 100' ' ' ILE . 0.0 OUTLIER -59.94 -53.38 58.54 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.555 HG21 HD22 ' B' ' 128' ' ' LEU . 4.0 mt -55.6 -34.23 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.581 ' HB3' ' O ' ' B' ' 140' ' ' LEU . 0.2 OUTLIER -55.62 -44.82 77.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -76.57 -40.78 48.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' LYS . . . . . 0.537 ' CG ' HG21 ' B' ' 100' ' ' ILE . 36.1 mmtt -61.89 -40.89 96.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 146' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' B' ' 120' ' ' ILE . 29.7 m -52.74 -34.04 50.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 110.024 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . 0.467 ' C ' ' N ' ' B' ' 149' ' ' PHE . 63.8 mttt -79.32 -16.58 56.13 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 148' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 27.9 t -43.09 -22.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 149' ' ' PHE . . . . . 0.856 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 42.1 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 111.052 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.452 0.167 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.72 HG21 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -58.76 -21.1 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 27.6 tt0 -62.48 -38.54 90.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 1.072 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.615 ' C ' HD13 ' A' ' 12' ' ' LEU . 2.7 tm? -70.4 -39.61 74.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.234 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 9.8 t80 -74.33 -38.15 63.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.938 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.85 HD11 ' CD2' ' A' ' 26' ' ' PHE . 11.3 mt -67.19 -33.76 76.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.841 ' CG ' HG22 ' A' ' 20' ' ' THR . 2.7 mt-10 -72.02 -25.11 61.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.21 -29.47 38.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.588 1.18 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.619 HD11 ' CD2' ' A' ' 14' ' ' LEU . 6.8 pt -96.93 -9.09 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.96 77.38 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.835 ' SG ' HD11 ' A' ' 59' ' ' ILE . 66.1 m -153.8 37.95 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.841 HG22 ' CG ' ' A' ' 15' ' ' GLU . 73.3 p -58.33 -24.73 60.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.612 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 5.5 pm0 -101.7 36.11 2.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.622 ' CD1' ' HA ' ' A' ' 19' ' ' CYS . 5.0 m-85 -130.51 4.66 4.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 111.058 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 20' ' ' THR . 9.2 mp -59.64 -66.85 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.372 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.93 -18.49 60.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.527 ' HB3' HD21 ' A' ' 48' ' ' LEU . 1.8 m -81.02 -47.97 12.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.031 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.85 ' CD2' HD11 ' A' ' 14' ' ' LEU . 3.8 m-85 -71.45 -39.92 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.485 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 36.7 mt -63.38 -23.68 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -76.94 -41.49 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.672 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 53.9 t -83.15 -28.63 29.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 108.25 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.672 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 13.0 m-20 98.55 53.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.842 HD11 HD23 ' A' ' 40' ' ' LEU . 1.1 mm? -119.02 33.43 5.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 32' ' ' VAL . 2.0 m -94.57 18.89 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.563 ' O ' HD13 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -125.31 159.3 32.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.366 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.631 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 18.9 mt-10 -91.29 34.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.218 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 8.4 mt-10 -148.13 -44.96 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -53.66 -39.94 65.48 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.595 1.185 . . . . 0.0 110.227 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.922 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -69.02 -28.9 41.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.495 ' CB ' ' HB2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -83.9 -13.45 53.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.05 44.63 1.9 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.842 HD23 HD11 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -141.87 -169.33 2.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 1.073 ' HB2' HD13 ' A' ' 44' ' ' ILE . 28.3 m-20 -115.68 -174.47 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.811 ' O ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -82.71 -43.47 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.666 ' CG ' ' HB2' ' B' ' 140' ' ' LEU . 5.6 t70 -64.36 -25.81 68.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.077 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 1.073 HD13 ' HB2' ' A' ' 41' ' ' ASP . 1.4 mp -56.65 -40.06 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.976 HD22 HG21 ' A' ' 59' ' ' ILE . 1.1 mt -79.41 -49.06 12.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.165 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.938 HG22 ' HG2' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -55.64 -38.02 48.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.14 -24.65 47.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.914 HD23 ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -53.89 -30.32 45.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.914 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 147.36 -11.42 1.35 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.357 1.035 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.886 HG12 HD22 ' A' ' 48' ' ' LEU . 2.3 p -87.3 83.84 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -82.04 -17.78 45.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.588 ' CG ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -51.78 98.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.24 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.734 HG23 HD11 ' B' ' 129' ' ' ILE . 30.9 mt -62.2 136.61 25.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 117.99 -94.71 0.61 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.593 1.183 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' GLY . 2.0 m-20 -37.28 -30.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 0.798 . . . . 0.0 109.293 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.938 ' HG2' HG22 ' A' ' 46' ' ' ILE . 6.9 mtp180 -47.85 -50.84 25.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.592 ' HB2' ' CG ' ' B' ' 126' ' ' ASP . 5.5 tt -50.85 -45.24 59.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -53.9 -53.29 54.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.244 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.976 HG21 HD22 ' A' ' 45' ' ' LEU . 31.7 mt -55.04 -39.84 51.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.804 HD21 ' CG ' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -63.63 -33.97 76.8 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.53 -45.52 30.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.525 ' CE ' HG22 ' A' ' 17' ' ' ILE . 17.7 mmtm -61.53 -39.61 91.66 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 51.0 m -51.93 -32.79 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.085 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -76.78 -19.68 57.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.465 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 46.9 m -53.22 -16.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.922 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 97.0 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.962 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . 0.682 ' HB2' HD11 ' B' ' 106' ' ' LEU . 1.3 tm0? -62.78 -40.6 97.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.691 ' O ' HD12 ' B' ' 95' ' ' LEU . 0.2 OUTLIER -64.85 -25.63 67.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . 0.641 ' O ' HG23 ' B' ' 100' ' ' ILE . 6.1 t80 -87.45 -43.14 12.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.704 HD13 ' HB2' ' B' ' 105' ' ' TYR . 18.3 mt -61.58 -24.58 66.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.239 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -69.72 -31.82 70.03 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 6.9 tp10 -80.58 -27.93 37.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.399 1.062 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.645 HG22 ' HD2' ' B' ' 145' ' ' LYS . 0.3 OUTLIER -95.2 -17.89 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.236 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' B' ' 97' ' ' LEU . . . 81.37 66.86 1.57 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . 0.851 ' SG ' HD11 ' B' ' 142' ' ' ILE . 61.1 m -143.41 40.71 1.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 3.0 m -58.78 -21.6 56.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . 0.545 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 18.8 pm0 -102.79 34.74 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.761 ' CD2' HG11 ' B' ' 133' ' ' VAL . 6.1 m-85 -128.84 3.48 5.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' B' ' 94' ' ' GLN . 3.8 mm? -63.02 -65.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.226 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.35 -16.85 9.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . 0.8 ' HB3' HD21 ' B' ' 131' ' ' LEU . 0.4 OUTLIER -90.66 -39.83 12.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 110.004 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.74 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 3.4 m-85 -76.27 -37.87 56.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.671 ' HA ' HG12 ' B' ' 115' ' ' VAL . 57.0 mt -60.72 -24.76 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.215 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -81.02 -45.52 16.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . 0.688 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 42.2 t -72.49 -27.4 62.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.155 . . . . 0.0 108.257 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.688 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 10.5 m-20 99.46 45.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.962 ' O ' HG21 ' B' ' 93' ' ' VAL . 68.7 mt -116.65 40.36 2.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.671 HG12 ' HA ' ' B' ' 110' ' ' ILE . 0.5 OUTLIER -101.22 12.25 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 6.0 p -123.6 161.63 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.458 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.51 ' HB3' ' CE2' ' B' ' 149' ' ' PHE . 27.6 mt-10 -89.89 31.21 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.25 -45.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.33 -44.22 54.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.839 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 0.6 OUTLIER -74.15 -25.87 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.4 1.062 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.533 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 4.6 ttpm? -68.18 -17.65 64.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -130.36 39.36 3.65 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.722 HD22 ' O ' ' B' ' 120' ' ' ILE . 0.3 OUTLIER -121.75 175.31 6.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.237 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' ASP . . . . . 0.804 ' CG ' HD21 ' A' ' 60' ' ' LEU . 68.8 m-20 -122.38 -168.25 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.234 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 1.057 ' O ' HG23 ' B' ' 129' ' ' ILE . 0.0 OUTLIER -87.91 -38.27 15.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.187 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.637 ' H ' ' HZ3' ' A' ' 42' ' ' LYS . 6.2 t70 -62.63 -19.64 63.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.408 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.61 ' CG2' HD12 ' B' ' 123' ' ' LEU . 0.7 OUTLIER -76.22 -40.35 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.981 HD22 ' CG2' ' B' ' 142' ' ' ILE . 0.4 OUTLIER -77.11 -42.1 39.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 1.057 HG23 ' O ' ' B' ' 125' ' ' LYS . 0.7 OUTLIER -59.28 -39.77 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . 0.533 ' N ' HD12 ' B' ' 129' ' ' ILE . . . -78.53 -26.22 45.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 109.379 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . 1.061 HD22 HG13 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -55.61 -29.53 59.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.586 1.179 . . . . 0.0 109.33 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . 0.789 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 133.26 22.59 0.79 Allowed Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 1.061 HG13 HD22 ' B' ' 131' ' ' LEU . 2.5 m -121.5 79.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.382 0.696 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' B' ' 136' ' ' ILE . 15.1 p30 -76.32 -16.7 59.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . 0.494 ' O ' ' HD3' ' B' ' 139' ' ' ARG . 21.3 mttp -46.51 91.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.397 1.061 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' B' ' 134' ' ' ASN . 3.8 mt -58.48 128.45 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 137' ' ' GLY . . . . . 0.653 ' O ' ' N ' ' B' ' 140' ' ' LEU . . . 123.74 -96.01 0.53 Allowed Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.447 1.092 . . . . 0.0 111.049 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' ASP . . . . . 0.451 ' O ' ' HG3' ' B' ' 141' ' ' LYS . 1.4 m-20 -36.39 -50.91 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 0.73 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' ARG . . . . . 0.866 HH21 ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -44.54 -28.06 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . 0.773 ' HA ' HD23 ' B' ' 143' ' ' LEU . 2.5 tt -68.23 -53.96 21.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' LYS . . . . . 0.556 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -53.51 -35.88 61.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.981 ' CG2' HD22 ' B' ' 128' ' ' LEU . 9.8 mt -56.23 -49.38 76.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.773 HD23 ' HA ' ' B' ' 140' ' ' LEU . 0.8 OUTLIER -61.39 -30.03 70.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.241 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -51.66 9.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' LYS . . . . . 0.645 ' HD2' HG22 ' B' ' 100' ' ' ILE . 0.8 OUTLIER -66.5 -28.79 68.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 146' ' ' SER . . . . . 0.594 ' OG ' HD21 ' B' ' 123' ' ' LEU . 17.5 m -54.0 -31.73 51.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . 0.469 ' C ' ' N ' ' B' ' 149' ' ' PHE . 2.0 mtpt -78.66 -15.95 57.88 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 148' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 35.6 t -46.62 -19.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.987 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 149' ' ' PHE . . . . . 0.839 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 94.0 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.506 0.193 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.031 HG21 ' O ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -57.65 -23.41 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -62.81 -40.84 98.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 12' ' ' LEU . 3.3 tt -71.83 -24.85 61.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.628 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 31.4 t80 -80.11 -41.63 25.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.646 HD13 ' HB2' ' A' ' 22' ' ' TYR . 4.8 mt -68.81 -30.68 69.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.03 -35.49 81.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.432 1.082 . . . . 0.0 110.248 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -80.45 -32.47 37.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.573 HD12 HG12 ' A' ' 59' ' ' ILE . 2.1 pt -99.13 25.9 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.348 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' ILE . . . 34.01 83.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.533 1.145 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.59 ' SG ' HD11 ' A' ' 59' ' ' ILE . 48.6 m -153.37 32.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -55.39 -18.91 7.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.493 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 7.7 pt20 -98.93 29.08 3.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.646 ' HB2' HD13 ' A' ' 14' ' ' LEU . 9.6 m-85 -128.35 1.53 5.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 27' ' ' ILE . 2.7 mm? -63.52 -65.45 0.68 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.378 1.048 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -16.41 17.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.634 ' HB3' HD21 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -91.26 -41.91 10.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.374 1.046 . . . . 0.0 109.927 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.718 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 2.4 m-85 -70.21 -40.33 74.63 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.614 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 29.1 mt -62.97 -24.27 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -75.54 -46.67 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.701 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 39.7 t -79.0 -29.19 43.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 108.292 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.701 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 22.4 m-20 101.36 56.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.031 ' O ' HG21 ' A' ' 10' ' ' VAL . 1.3 mm? -120.3 35.61 4.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.406 1.066 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER -98.17 21.25 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.418 1.074 . . . . 0.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.1 m -133.15 161.12 35.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.448 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.516 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 35.1 mt-10 -89.71 22.85 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -132.27 -44.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 110.362 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' HB3' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -53.79 -44.49 70.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.809 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 1.2 pt -72.95 -18.59 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.552 ' HB2' ' HB2' ' A' ' 66' ' ' PHE . 5.6 tttm -77.7 -17.34 57.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.402 1.064 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -123.43 42.08 3.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.402 1.064 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.806 HD22 ' O ' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -134.9 156.88 48.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.371 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.501 ' CG ' HD21 ' B' ' 143' ' ' LEU . 2.7 m-20 -100.32 -160.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.934 ' HD2' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -93.54 -42.22 9.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.775 ' O ' HG22 ' A' ' 46' ' ' ILE . 8.0 t0 -61.8 -29.68 70.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.52 HG21 ' HB2' ' A' ' 40' ' ' LEU . 1.1 mp -60.68 -37.2 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.771 HD23 HD13 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -81.27 -41.15 22.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.775 HG22 ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -49.54 -38.55 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.18 -25.52 47.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.898 HD23 ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -58.77 -28.84 66.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.231 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.768 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 140.58 -5.91 2.64 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.672 HG12 HD22 ' A' ' 48' ' ' LEU . 3.0 p -94.05 72.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 0.0 109.391 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -77.59 -17.09 58.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.433 ' NZ ' ' HB3' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -51.3 102.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.715 HG23 ' CD1' ' B' ' 129' ' ' ILE . 39.0 mt -64.9 134.15 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 121.22 -94.89 0.55 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.479 1.112 . . . . 0.0 111.052 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 54' ' ' GLY . 2.8 m-20 -35.24 -32.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.637 HH21 ' CD1' ' B' ' 129' ' ' ILE . 2.5 ttp-105 -48.07 -32.1 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.261 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.622 ' HB2' ' CB ' ' B' ' 126' ' ' ASP . 0.2 OUTLIER -70.71 -34.48 71.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.593 ' HG3' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.07 -51.27 70.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.593 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 27.7 mt -63.2 -24.16 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.223 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.938 HD11 ' OD1' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -65.53 -41.82 92.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -41.34 46.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.628 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 40.7 mmtt -61.68 -45.2 95.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 37' ' ' ILE . 4.3 p -50.45 -30.44 12.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.125 . . . . 0.0 110.058 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -79.98 -22.51 42.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 62' ' ' LYS . 53.0 m -41.85 -25.05 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.809 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 41.8 m-85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.894 HG13 HD22 ' B' ' 97' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . 0.548 ' CG ' HD11 ' B' ' 106' ' ' LEU . 61.3 mt-30 -62.64 -42.64 99.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.373 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.817 HD13 ' O ' ' B' ' 95' ' ' LEU . 2.6 tm? -66.02 -24.69 66.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . 0.718 ' CE1' HG21 ' B' ' 100' ' ' ILE . 2.8 t80 -87.97 -43.69 11.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 1.01 HD21 ' CD2' ' B' ' 109' ' ' PHE . 0.6 OUTLIER -60.11 -24.01 64.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -73.71 -32.5 63.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 4.0 tt0 -78.91 -25.01 43.75 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.788 HG22 ' HD2' ' B' ' 145' ' ' LYS . 0.6 OUTLIER -95.44 -15.97 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.84 67.49 1.51 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.422 1.076 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . 0.61 ' HA ' ' CD1' ' B' ' 105' ' ' TYR . 93.8 m -139.32 37.06 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 60.6 p -57.32 -24.97 58.43 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.532 1.145 . . . . 0.0 110.489 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . 0.583 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 1.4 pm0 -102.78 35.82 2.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.61 ' CD1' ' HA ' ' B' ' 102' ' ' CYS . 6.5 m-85 -128.98 3.48 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.548 HD11 ' CG ' ' B' ' 94' ' ' GLN . 0.1 OUTLIER -61.82 -65.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.4 -16.04 20.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . 0.537 ' HB3' HD21 ' B' ' 131' ' ' LEU . 12.4 m -89.29 -47.96 7.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 1.01 ' CD2' HD21 ' B' ' 97' ' ' LEU . 2.6 m-85 -68.38 -40.52 81.38 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.6 1.187 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.518 HG13 ' O ' ' B' ' 106' ' ' LEU . 14.8 mt -65.01 -23.67 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -72.45 -51.97 17.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . 0.655 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 33.4 t -81.49 -27.44 34.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.417 1.073 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.655 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 1.6 m-20 96.52 63.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.943 HD11 HD23 ' B' ' 123' ' ' LEU . 0.5 OUTLIER -115.82 17.5 16.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.339 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.816 HG22 ' O ' ' B' ' 115' ' ' VAL . 1.3 p -109.32 51.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.234 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' THR . . . . . 0.46 ' O ' ' N ' ' B' ' 118' ' ' GLU . 19.6 m -138.21 20.1 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.598 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 19.0 mt-10 34.1 36.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.246 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' B' ' 116' ' ' THR . 16.8 tt0 -155.7 -44.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -37.43 78.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.829 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 0.5 OUTLIER -67.61 -26.05 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.521 ' CB ' ' HB2' ' B' ' 149' ' ' PHE . 1.3 pttt -85.35 -13.76 48.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.407 1.067 . . . . 0.0 109.25 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -116.69 42.81 2.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.943 HD23 HD11 ' B' ' 114' ' ' LEU . 0.1 OUTLIER -143.48 -169.32 3.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' ASP . . . . . 0.938 ' OD1' HD11 ' A' ' 60' ' ' LEU . 30.3 m-20 -121.93 -171.81 2.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.84 ' HG3' ' HZ2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -85.98 -34.58 20.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.676 ' HB2' ' HZ1' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -64.87 -27.2 68.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.61 ' CG2' HD22 ' B' ' 123' ' ' LEU . 1.1 mp -67.99 -37.73 78.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' B' ' 124' ' ' ASP . 1.9 mm? -69.13 -52.99 22.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.715 ' CD1' HG23 ' A' ' 53' ' ' ILE . 2.3 pp -60.71 -32.11 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.2 -29.36 48.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . 1.05 HD22 HG23 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -58.08 -27.22 63.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . 0.852 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 133.53 37.72 0.23 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.57 1.169 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 1.05 HG23 HD22 ' B' ' 131' ' ' LEU . 4.4 t -123.51 74.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.45 0.735 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' ASN . . . . . 0.546 ' C ' HH21 ' B' ' 139' ' ' ARG . 2.0 m-20 -66.65 -17.31 64.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' B' ' 139' ' ' ARG . 23.9 mttp -54.68 97.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 109.25 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.496 ' HA ' ' CD ' ' B' ' 139' ' ' ARG . 66.4 mt -66.78 129.8 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 137' ' ' GLY . . . . . 0.531 ' O ' ' OD1' ' A' ' 43' ' ' ASP . . . 117.96 -97.11 0.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' B' ' 141' ' ' LYS . 1.0 OUTLIER -36.59 -34.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.744 . . . . 0.0 109.334 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' ARG . . . . . 0.742 ' HD3' ' HZ1' ' B' ' 125' ' ' LYS . 4.4 ptp180 -45.86 -34.55 3.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . 0.785 ' O ' HD23 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -75.88 -34.54 60.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' LYS . . . . . 0.693 ' N ' HD23 ' B' ' 140' ' ' LEU . 0.0 OUTLIER -52.86 -43.93 66.44 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.564 HD11 ' SG ' ' B' ' 102' ' ' CYS . 84.5 mt -63.79 -43.34 97.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.394 1.059 . . . . 0.0 109.222 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.785 HD23 ' O ' ' B' ' 140' ' ' LEU . 0.0 OUTLIER -57.5 -26.87 61.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -50.72 8.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' LYS . . . . . 0.788 ' HD2' HG22 ' B' ' 100' ' ' ILE . 0.1 OUTLIER -64.81 -31.5 72.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 146' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' B' ' 143' ' ' LEU . 1.5 p -51.19 -31.73 21.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 109.997 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' B' ' 149' ' ' PHE . 36.4 mtmt -79.15 -17.65 54.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.42 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 148' ' ' SER . . . . . 0.508 ' N ' ' O ' ' B' ' 145' ' ' LYS . 48.7 m -50.73 -18.5 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.956 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 149' ' ' PHE . . . . . 0.829 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 87.9 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.066 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.524 0.202 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.761 HG21 ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -58.08 -19.97 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 57.6 mt-30 -61.63 -41.08 96.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.62 -39.18 67.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 6.9 t80 -71.88 -41.33 68.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.991 HD11 ' CD2' ' A' ' 26' ' ' PHE . 10.5 mt -65.08 -37.77 88.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 3.1 mt-10 -70.04 -34.8 73.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -29.05 68.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 110.232 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.569 HD11 HD23 ' A' ' 14' ' ' LEU . 19.2 pt -96.92 -9.38 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.92 73.1 1.26 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.439 1.087 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.819 ' SG ' HD11 ' A' ' 59' ' ' ILE . 97.8 m -146.65 36.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.437 ' OG1' ' CG ' ' A' ' 15' ' ' GLU . 3.7 m -57.66 -22.52 46.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 3.3 pt20 -101.83 34.61 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.075 . . . . 0.0 110.338 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.594 ' CG ' ' HB3' ' A' ' 19' ' ' CYS . 7.3 m-85 -129.17 5.4 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 27' ' ' ILE . 20.9 mt -57.11 -68.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -64.97 -17.87 64.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.758 ' HB3' HD11 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -78.61 -55.45 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.991 ' CD2' HD11 ' A' ' 14' ' ' LEU . 1.7 m-85 -66.01 -39.26 90.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.97 HG12 HG21 ' A' ' 32' ' ' VAL . 49.4 mt -62.47 -24.39 35.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -74.69 -39.24 62.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.639 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 18.1 t -89.2 -28.46 19.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.639 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 3.1 m-20 95.09 55.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.761 ' O ' HG21 ' A' ' 10' ' ' VAL . 14.0 mt -113.18 22.85 13.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.97 HG21 HG12 ' A' ' 27' ' ' ILE . 5.0 t -94.28 37.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -139.66 143.9 37.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.671 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 30.8 mt-10 -80.32 17.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -131.05 -46.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 2.3 mm-40 -58.87 -42.5 89.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.168 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 2.3 pt -73.53 -18.93 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.553 ' HB2' ' CB ' ' A' ' 66' ' ' PHE . 1.5 ttpm? -85.65 -16.5 38.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -123.88 44.4 2.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.736 HD22 ' O ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -129.72 175.22 9.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.464 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 1.5 m-20 -103.53 175.52 5.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.837 ' O ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -84.23 -31.79 24.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.649 ' HB3' HD12 ' B' ' 140' ' ' LEU . 0.3 OUTLIER -79.41 -15.51 57.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.183 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 1.015 HD12 HD11 ' B' ' 140' ' ' LEU . 0.1 OUTLIER -72.4 -39.55 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.811 HD22 HG22 ' A' ' 59' ' ' ILE . 2.8 pp -70.49 -49.67 45.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.016 HG21 ' NZ ' ' B' ' 125' ' ' LYS . 0.8 OUTLIER -50.46 -35.6 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.523 ' N ' HG13 ' A' ' 46' ' ' ILE . . . -77.96 -27.39 49.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.758 HD11 ' HB3' ' A' ' 25' ' ' SER . 0.3 OUTLIER -53.38 -29.26 33.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.404 1.065 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.21 -14.65 1.67 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.152 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.607 HG12 ' HG ' ' A' ' 48' ' ' LEU . 2.2 p -86.05 75.98 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.523 ' OD1' HD11 ' B' ' 136' ' ' ILE . 8.4 t30 -79.44 -15.31 58.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 19.8 mtpp -48.75 98.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.862 HG23 ' CD1' ' B' ' 129' ' ' ILE . 57.4 mt -62.39 131.91 27.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 120.45 -96.5 0.62 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.552 1.157 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' GLY . 15.2 t70 -36.29 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.999 ' NH2' HD13 ' B' ' 129' ' ' ILE . 2.4 mtp180 -47.12 -35.1 6.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.6 1.188 . . . . 0.0 110.357 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.593 ' HB2' ' CB ' ' B' ' 126' ' ' ASP . 10.0 tt -63.69 -36.21 83.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -61.89 -54.94 35.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.819 HD11 ' SG ' ' A' ' 19' ' ' CYS . 45.2 mt -58.0 -28.83 34.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.691 HD21 ' CG ' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -62.22 -40.88 97.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.1 mmt-85 -77.89 -40.37 40.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.231 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 23.4 mmtm -58.31 -43.28 88.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 37' ' ' ILE . 89.0 p -51.29 -37.82 49.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -78.94 -18.5 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 10.2 t -47.06 -19.2 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.611 1.195 . . . . 0.0 110.021 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 1.168 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 91.0 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 111.052 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.867 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -60.81 -40.34 92.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.631 HD13 ' O ' ' B' ' 95' ' ' LEU . 2.1 tm? -68.61 -23.9 64.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' B' ' 145' ' ' LYS . 4.1 t80 -85.34 -43.77 13.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.768 HD23 HD11 ' B' ' 100' ' ' ILE . 64.9 mt -62.8 -27.63 69.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -70.25 -31.93 69.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.494 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 5.8 tt0 -77.97 -26.91 49.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.316 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.768 HD11 HD23 ' B' ' 97' ' ' LEU . 1.0 OUTLIER -96.09 -20.2 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 97' ' ' LEU . . . 80.45 67.26 1.57 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . 0.713 ' SG ' HD11 ' B' ' 142' ' ' ILE . 91.3 m -142.31 44.64 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -60.76 -17.94 51.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -102.18 31.87 3.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 1.078 ' CD2' HG11 ' B' ' 133' ' ' VAL . 11.9 m-85 -129.14 1.87 5.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.453 ' O ' HG13 ' B' ' 110' ' ' ILE . 9.4 mp -67.45 -60.58 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.48 -18.06 10.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . 0.69 ' HB2' HD21 ' B' ' 131' ' ' LEU . 0.0 OUTLIER -94.4 -39.22 10.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.675 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 2.6 m-85 -73.52 -39.31 64.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.586 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 45.8 mt -61.31 -25.0 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -80.2 -43.87 20.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . 0.651 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 32.2 t -75.61 -29.04 59.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 108.326 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.651 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 4.2 m-20 95.01 49.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.868 HD22 HG22 ' B' ' 120' ' ' ILE . 85.2 mt -114.81 30.88 7.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.586 ' CG1' ' HA ' ' B' ' 110' ' ' ILE . 1.2 m -95.61 21.61 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 44.2 p -125.86 157.59 37.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 110.363 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.55 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 25.0 mt-10 -89.69 32.79 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' B' ' 121' ' ' LYS . 1.8 mp0 -143.32 -44.79 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.442 ' HA ' ' CE1' ' B' ' 122' ' ' TYR . 1.7 mt-10 -53.11 -44.16 67.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.868 HG22 HD22 ' B' ' 114' ' ' LEU . 0.6 OUTLIER -76.17 -18.91 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.498 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 21.8 ttpp -72.65 -17.38 61.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 0.714 ' CG ' ' O ' ' B' ' 122' ' ' TYR . 0.6 OUTLIER -134.34 37.52 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.92 HD11 HD22 ' B' ' 128' ' ' LEU . 0.0 OUTLIER -116.87 166.45 12.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.371 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' ASP . . . . . 0.691 ' CG ' HD21 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -113.29 -169.73 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 1.016 ' NZ ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -91.21 -38.6 12.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.318 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.612 ' HA ' ' CG1' ' B' ' 129' ' ' ILE . 2.4 t70 -55.96 -28.28 56.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.785 ' CG2' HD12 ' B' ' 123' ' ' LEU . 0.7 OUTLIER -72.32 -37.67 59.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.92 HD22 HD11 ' B' ' 123' ' ' LEU . 0.5 OUTLIER -68.46 -57.13 6.3 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.999 HD13 ' NH2' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -50.89 -36.47 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.7 -27.06 55.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . 0.919 ' C ' HD23 ' B' ' 131' ' ' LEU . 0.0 OUTLIER -62.19 -26.74 68.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.192 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . 0.827 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 129.96 17.38 1.66 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 1.078 HG11 ' CD2' ' B' ' 105' ' ' TYR . 31.6 m -122.09 71.66 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.804 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' B' ' 136' ' ' ILE . 15.5 t30 -71.62 -13.67 61.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' B' ' 139' ' ' ARG . 34.8 mttp -40.77 97.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.523 HD11 ' OD1' ' A' ' 51' ' ' ASN . 8.8 mt -68.03 128.96 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 137' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' B' ' 138' ' ' ASP . . . 122.71 -98.89 0.63 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' ASP . . . . . 0.546 ' O ' ' CG ' ' B' ' 141' ' ' LYS . 12.4 t70 -37.56 -35.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' ARG . . . . . 0.744 HH21 ' HB ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -48.39 -31.66 6.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.259 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . 1.015 HD11 HD12 ' A' ' 44' ' ' ILE . 7.2 tt -68.25 -35.0 77.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' LYS . . . . . 0.672 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -61.95 -42.37 99.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.744 ' HB ' HH21 ' B' ' 139' ' ' ARG . 9.6 mt -64.75 -35.22 74.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.844 HD13 ' C ' ' B' ' 143' ' ' LEU . 0.3 OUTLIER -64.71 -34.74 79.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' ARG . . . . . 0.407 ' N ' HD13 ' B' ' 143' ' ' LEU . 0.3 OUTLIER -81.15 -49.58 10.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' B' ' 148' ' ' SER . 10.2 mttp -63.68 -33.01 74.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 146' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' B' ' 142' ' ' ILE . 4.4 m -52.86 -32.75 46.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . 0.476 ' C ' ' N ' ' B' ' 149' ' ' PHE . 3.8 ptpt -80.09 -15.94 56.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 148' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 67.8 m -43.13 -21.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.048 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 149' ' ' PHE . . . . . 0.752 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 87.2 m-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.5 0.191 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.638 HG11 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -59.04 -21.43 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.93 -36.91 84.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tt -70.09 -37.83 75.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 10.8 t80 -76.83 -40.21 48.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.806 ' CD2' HD11 ' A' ' 17' ' ' ILE . 7.4 mt -65.51 -37.26 86.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -66.57 -24.87 66.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -81.24 -28.99 34.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.355 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.806 HD11 ' CD2' ' A' ' 14' ' ' LEU . 5.7 pt -97.1 -10.73 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 14' ' ' LEU . . . 83.29 67.63 1.46 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.423 1.077 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.986 ' SG ' HD11 ' A' ' 59' ' ' ILE . 56.1 m -143.97 38.95 1.33 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 t -59.7 -20.24 55.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.408 1.068 . . . . 0.0 110.443 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.616 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 18.5 pm0 -101.03 30.92 3.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 1.03 ' CD2' HG11 ' A' ' 50' ' ' VAL . 6.5 m-85 -127.44 3.12 6.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 mt -56.79 -68.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -63.63 -18.7 64.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.686 ' HB3' HD21 ' A' ' 48' ' ' LEU . 3.8 m -78.86 -52.32 8.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.073 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.763 ' CD2' HD11 ' A' ' 14' ' ' LEU . 2.4 m-85 -68.26 -38.72 82.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.703 ' HA ' HG12 ' A' ' 32' ' ' VAL . 33.1 mt -65.17 -23.53 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -72.89 -54.49 8.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.245 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.614 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 32.1 t -67.73 -59.49 3.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 108.289 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 11.3 p30 146.18 40.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.638 ' O ' HG11 ' A' ' 10' ' ' VAL . 1.4 mm? -112.64 51.14 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.703 HG12 ' HA ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -111.12 11.34 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.517 HG22 ' H ' ' A' ' 34' ' ' GLU . 3.8 m -126.29 178.37 5.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.482 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.525 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 28.1 mt-10 -105.54 43.05 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.4 -46.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.95 -42.27 65.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.292 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.853 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.8 OUTLIER -73.42 -18.07 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HB2' ' HB2' ' A' ' 66' ' ' PHE . 21.8 ttpp -75.49 -17.41 60.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -130.99 44.49 2.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.848 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -121.0 169.82 10.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.206 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.769 ' OD1' HD21 ' B' ' 143' ' ' LEU . 51.6 m-20 -121.29 161.0 22.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.644 ' HG2' ' CG ' ' B' ' 125' ' ' LYS . 2.5 tttt -65.0 -41.25 95.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.633 ' CB ' ' HB3' ' B' ' 140' ' ' LEU . 2.7 t70 -62.18 -23.53 66.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.579 HD12 HD22 ' B' ' 140' ' ' LEU . 0.4 OUTLIER -75.53 -35.05 31.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.699 ' O ' HG22 ' A' ' 50' ' ' VAL . 1.4 mt -77.44 -51.03 11.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.664 HD12 ' NH1' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -48.81 -38.63 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.11 -26.5 53.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.348 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.871 HD23 ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -59.53 -26.92 65.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.825 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 129.66 19.49 1.47 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.03 HG11 ' CD2' ' A' ' 22' ' ' TYR . 27.7 m -122.16 74.46 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.532 ' O ' ' C ' ' A' ' 52' ' ' LYS . 3.0 m-80 -69.2 -14.78 63.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -30.44 96.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.672 ' HA ' HH21 ' A' ' 56' ' ' ARG . 2.0 mt -72.89 120.99 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 119.13 -93.24 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 54' ' ' GLY . 18.0 t0 -34.98 -31.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.672 HH21 ' HA ' ' A' ' 53' ' ' ILE . 23.8 mtm180 -45.87 -33.86 3.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.825 HD13 ' C ' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -63.02 -43.67 98.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.618 1.199 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.403 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -54.44 -51.94 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.986 HD11 ' SG ' ' A' ' 19' ' ' CYS . 4.5 mt -55.05 -29.84 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -67.01 -42.59 84.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -75.46 -49.2 19.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 65' ' ' SER . 23.8 mmtm -58.42 -37.38 75.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 2.6 m -53.32 -37.54 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.464 ' C ' ' N ' ' A' ' 66' ' ' PHE . 2.5 mtmp? -78.01 -17.7 56.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 13.7 t -45.24 -19.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.853 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 97.0 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.627 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -42.21 97.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.552 ' C ' HD23 ' B' ' 95' ' ' LEU . 0.9 OUTLIER -64.93 -24.52 67.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . 0.507 ' HD2' HG22 ' B' ' 93' ' ' VAL . 2.3 t80 -85.35 -40.1 16.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.811 HD23 HD11 ' B' ' 100' ' ' ILE . 95.7 mt -61.99 -26.67 68.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -64.38 -33.83 76.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 47.5 tt0 -79.79 -33.92 40.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.811 HD11 HD23 ' B' ' 97' ' ' LEU . 4.9 pt -97.33 25.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' B' ' 100' ' ' ILE . . . 32.38 79.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.128 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . 0.556 ' HB3' ' CG ' ' B' ' 105' ' ' TYR . 31.1 m -139.72 38.4 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 7.5 m -58.69 -20.99 53.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.367 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . 0.589 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 4.6 pm0 -100.95 32.0 3.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.623 ' O ' ' N ' ' B' ' 109' ' ' PHE . 9.1 m-85 -128.42 0.93 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.49 ' N ' HD23 ' B' ' 106' ' ' LEU . 5.5 mt -53.52 -70.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.5 -16.35 62.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . 0.621 ' HB3' HD21 ' B' ' 131' ' ' LEU . 1.9 m -81.44 -39.72 24.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.687 ' CD1' HD11 ' B' ' 131' ' ' LEU . 2.6 m-85 -85.24 -35.45 21.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.433 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 37.4 mt -64.13 -25.78 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -82.72 -49.91 9.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.157 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . 0.657 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 52.0 t -69.03 -30.78 69.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 108.303 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.657 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 3.4 m-20 96.03 43.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.181 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.639 ' HB2' ' CD2' ' B' ' 109' ' ' PHE . 34.6 mt -103.88 16.06 27.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.744 HG22 ' O ' ' B' ' 115' ' ' VAL . 1.9 p -106.96 50.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' THR . . . . . 0.48 ' O ' ' N ' ' B' ' 118' ' ' GLU . 17.3 p -138.36 18.8 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.45 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.543 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 14.7 mt-10 34.6 34.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.536 ' O ' ' CG ' ' B' ' 121' ' ' LYS . 18.0 tp10 -150.35 -45.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -57.59 -38.12 74.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.308 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.81 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 0.5 OUTLIER -70.47 -26.2 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.602 ' CB ' ' HB2' ' B' ' 149' ' ' PHE . 0.0 OUTLIER -72.54 -15.22 61.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.31 33.68 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.808 HD22 ' O ' ' B' ' 120' ' ' ILE . 0.2 OUTLIER -122.5 179.86 4.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' ASP . . . . . 0.494 ' HB3' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -121.07 -161.59 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.918 ' HB3' HD13 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -93.74 -35.48 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.667 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 32.9 t0 -65.99 -29.14 69.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.635 HG21 HD12 ' B' ' 123' ' ' LEU . 1.2 mp -58.52 -33.1 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.531 ' HA ' ' HB3' ' B' ' 131' ' ' LEU . 3.3 mm? -70.98 -48.27 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.559 HG12 ' CZ ' ' B' ' 139' ' ' ARG . 0.2 OUTLIER -50.93 -41.04 21.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.23 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.57 -30.01 59.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . 0.886 HD22 HG23 ' B' ' 133' ' ' VAL . 0.1 OUTLIER -61.5 -28.92 69.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . 0.646 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 127.78 42.08 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.886 HG23 HD22 ' B' ' 131' ' ' LEU . 59.2 t -121.65 88.59 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' ASN . . . . . 0.414 ' C ' HH21 ' B' ' 139' ' ' ARG . 52.4 t-20 -81.28 -17.84 47.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . 0.487 ' C ' HH21 ' B' ' 139' ' ' ARG . 7.1 ptpp? -67.48 98.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.593 HD12 HD13 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -68.61 138.11 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 137' ' ' GLY . . . . . 0.464 ' O ' ' OD1' ' A' ' 43' ' ' ASP . . . 118.65 -98.42 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' B' ' 137' ' ' GLY . 4.6 m-20 -37.73 -33.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' ARG . . . . . 0.626 HH11 ' NZ ' ' B' ' 125' ' ' LYS . 19.9 ttm180 -47.02 -32.04 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . 0.674 HD13 ' OD2' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -75.38 -37.78 60.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' LYS . . . . . 0.578 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -52.58 -42.63 64.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.578 ' N ' ' HG3' ' B' ' 141' ' ' LYS . 96.5 mt -63.43 -43.42 98.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.918 HD13 ' HB3' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -58.07 -28.63 64.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -53.99 6.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' LYS . . . . . 0.696 ' HD3' HG22 ' B' ' 100' ' ' ILE . 0.4 OUTLIER -65.53 -28.82 69.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 146' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' B' ' 123' ' ' LEU . 88.2 p -51.54 -32.72 29.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . 0.462 ' C ' ' N ' ' B' ' 149' ' ' PHE . 6.7 mtmt -78.73 -17.21 56.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 148' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 68.4 m -45.82 -20.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.016 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 149' ' ' PHE . . . . . 0.81 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 78.8 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.549 0.214 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.856 HG12 HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -58.19 -19.95 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -61.62 -39.79 92.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.412 ' C ' HD23 ' A' ' 12' ' ' LEU . 6.8 tt -68.06 -34.38 76.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.618 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 3.6 t80 -80.4 -36.58 33.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.824 HD11 ' CD2' ' A' ' 26' ' ' PHE . 20.1 mt -70.5 -24.82 62.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -68.13 -39.72 82.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.667 ' HG2' HG23 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -76.38 -31.62 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.667 HG23 ' HG2' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -97.53 26.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' ILE . . . 35.58 88.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.115 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.575 ' SG ' ' CG ' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -141.58 33.94 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 m -57.57 -37.55 73.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.434 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.401 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 6.7 pm0 -96.85 29.86 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CG ' ' SG ' ' A' ' 19' ' ' CYS . 36.5 m-85 -128.53 -0.24 5.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 27' ' ' ILE . 9.6 mp -66.86 -62.61 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.49 -18.23 38.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.699 ' HB3' HD21 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -88.69 -40.62 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.824 ' CD2' HD11 ' A' ' 14' ' ' LEU . 2.7 m-85 -72.5 -39.5 67.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.779 HG12 HG21 ' A' ' 32' ' ' VAL . 14.1 mt -65.22 -24.55 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -71.75 -50.67 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.657 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 35.0 t -81.13 -28.58 35.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.254 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.657 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 12.5 m-20 96.48 64.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.681 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 1.1 mm? -117.26 20.8 13.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.856 HG13 HG12 ' A' ' 10' ' ' VAL . 1.1 t -108.96 48.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.597 1.186 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 35' ' ' GLU . 3.8 m -136.34 17.36 3.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 0.0 110.396 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.566 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 20.2 mt-10 34.89 33.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 18.1 tt0 -147.9 -45.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HB3' HD13 ' A' ' 31' ' ' LEU . 3.4 tp10 -59.98 -39.8 86.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.297 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.876 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -68.79 -18.89 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.621 ' CB ' ' HB2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -83.97 -14.4 50.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.85 43.86 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.729 HD22 ' HA ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -134.58 171.8 13.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.465 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -98.75 -173.06 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.388 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.603 ' CG ' ' CG ' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -92.78 -40.96 10.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.527 ' O ' HG13 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -62.66 -19.16 63.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.658 HG21 HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -67.16 -34.32 68.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.367 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.511 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 2.9 mm? -71.89 -50.1 32.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.866 HD13 ' HB ' ' B' ' 136' ' ' ILE . 0.8 OUTLIER -53.26 -36.31 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.551 ' N ' HG13 ' A' ' 46' ' ' ILE . . . -80.34 -29.62 38.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.759 HD22 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -53.46 -28.16 28.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.732 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 135.65 38.9 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.759 HG23 HD22 ' A' ' 48' ' ' LEU . 6.6 t -123.69 91.53 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -81.47 -16.65 51.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -72.08 97.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.597 ' HB ' HD13 ' B' ' 129' ' ' ILE . 1.6 pt -71.0 118.27 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 145.43 -94.52 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 54' ' ' GLY . 7.0 m-20 -35.57 -33.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 0.788 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.762 ' NE ' HG22 ' A' ' 46' ' ' ILE . 3.4 mtp180 -48.66 -33.45 9.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.062 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -63.86 -40.86 97.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.568 ' HG3' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -56.75 -49.84 74.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.372 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.568 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 83.2 mt -60.85 -35.59 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.812 HD22 HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -56.23 -39.53 72.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -46.43 21.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.246 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.618 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 32.2 mmtt -60.43 -38.89 85.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 56.2 m -50.67 -37.49 41.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.443 ' C ' ' N ' ' A' ' 66' ' ' PHE . 3.0 mppt? -79.18 -19.09 51.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 11.0 t -48.88 -18.49 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.876 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 94.5 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.958 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -62.64 -40.79 98.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.632 ' C ' HD12 ' B' ' 95' ' ' LEU . 0.4 OUTLIER -65.27 -23.83 67.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' B' ' 145' ' ' LYS . 12.8 t80 -84.63 -42.18 15.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.597 ' CD2' HD11 ' B' ' 100' ' ' ILE . 30.1 mt -63.88 -25.38 68.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 1.4 pp20? -64.28 -34.53 78.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 3.1 tt0 -80.33 -35.47 35.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.597 HD11 ' CD2' ' B' ' 97' ' ' LEU . 19.1 pt -97.06 22.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' B' ' 100' ' ' ILE . . . 30.33 81.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.412 1.07 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . 0.828 ' SG ' HD11 ' B' ' 142' ' ' ILE . 32.7 m -137.32 43.49 2.32 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 54.9 m -59.54 -19.1 45.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . 0.586 ' HG2' ' CD1' ' B' ' 105' ' ' TYR . 1.7 pt20 -98.31 27.73 4.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.899 ' CE2' HG21 ' B' ' 133' ' ' VAL . 20.0 m-85 -129.0 2.06 5.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.46 -66.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -72.21 -15.56 61.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . 0.724 ' HB3' HD21 ' B' ' 131' ' ' LEU . 0.8 OUTLIER -78.93 -48.67 14.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.927 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 1.003 ' CE1' HD11 ' B' ' 128' ' ' LEU . 1.7 m-85 -70.33 -35.03 73.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.968 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.925 HG12 HG21 ' B' ' 115' ' ' VAL . 83.7 mt -64.96 -23.28 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -80.81 -48.41 12.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.567 1.167 . . . . 0.0 110.339 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . 0.632 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 12.8 t -76.9 -28.86 55.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.632 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 7.2 m-20 94.31 66.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.958 ' O ' HG21 ' B' ' 93' ' ' VAL . 2.3 mt -126.41 23.36 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.925 HG21 HG12 ' B' ' 110' ' ' ILE . 18.1 t -93.12 36.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.52 157.27 45.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.603 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 10.7 mp0 -89.0 32.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' B' ' 121' ' ' LYS . 0.3 OUTLIER -143.52 -47.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -41.93 93.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 1.235 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 1.7 pt -73.68 -18.1 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.506 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 5.4 tptt -75.26 -18.29 60.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 0.439 ' O ' ' CD2' ' B' ' 122' ' ' TYR . 76.0 t80 -128.85 45.06 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.625 HD22 HD22 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -114.46 165.19 13.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' ASP . . . . . 0.561 ' CG ' HD21 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -121.83 -169.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.844 ' HE2' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -91.35 -36.83 13.62 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.638 1.211 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.699 ' CB ' ' HB2' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -62.35 -40.83 97.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.475 HD12 ' CD2' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -67.14 -33.69 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 1.003 HD11 ' CE1' ' B' ' 109' ' ' PHE . 6.3 tp -73.58 -55.04 6.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.648 HD12 ' N ' ' B' ' 130' ' ' ALA . 2.8 pp -54.28 -34.98 28.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . 0.648 ' N ' HD12 ' B' ' 129' ' ' ILE . . . -78.28 -26.11 46.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . 1.02 HD22 HG23 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -60.67 -25.34 66.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . 0.735 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 143.45 -7.04 1.99 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 1.02 HG23 HD22 ' B' ' 131' ' ' LEU . 13.9 t -88.86 64.01 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -59.23 -16.66 22.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . 0.814 ' O ' ' NH1' ' B' ' 139' ' ' ARG . 7.4 mttm -74.77 88.39 2.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.866 ' HB ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -60.69 141.63 16.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 137' ' ' GLY . . . . . 0.55 ' O ' ' N ' ' B' ' 140' ' ' LEU . . . 131.62 -92.58 0.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' ASP . . . . . 0.646 ' HB3' HH21 ' B' ' 139' ' ' ARG . 0.2 OUTLIER -35.08 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' ARG . . . . . 0.814 ' NH1' ' O ' ' B' ' 135' ' ' LYS . 0.0 OUTLIER -51.33 -33.47 29.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' B' ' 137' ' ' GLY . 5.3 tp -62.62 -37.42 86.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' LYS . . . . . 0.449 ' HD3' HG22 ' B' ' 100' ' ' ILE . 0.0 OUTLIER -61.58 -52.06 65.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.954 HD12 HD21 ' B' ' 128' ' ' LEU . 1.3 mt -59.84 -25.98 34.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' B' ' 125' ' ' LYS . 1.3 mt -63.54 -41.45 98.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.631 1.207 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -78.19 -46.8 19.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' LYS . . . . . 0.568 ' HB3' ' CZ ' ' B' ' 96' ' ' PHE . 6.1 mmtp -63.71 -37.2 86.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 146' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' B' ' 142' ' ' ILE . 10.3 p -53.24 -31.06 41.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.888 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . 0.47 ' C ' ' N ' ' B' ' 149' ' ' PHE . 1.0 OUTLIER -79.03 -17.72 54.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 148' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 8.9 t -46.63 -19.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.165 . . . . 0.0 109.966 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 149' ' ' PHE . . . . . 1.235 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 97.0 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.571 0.224 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.859 HG12 HG13 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -58.65 -20.64 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -62.93 -39.63 95.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.717 ' C ' HD13 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -72.53 -33.98 67.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.629 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 1.8 t80 -80.39 -39.37 28.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.162 HD11 ' CD2' ' A' ' 26' ' ' PHE . 10.8 mt -64.66 -40.0 94.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -72.61 -24.6 61.1 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 9.1 tt0 -77.5 -27.0 51.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.716 HD11 HD23 ' A' ' 14' ' ' LEU . 50.2 pt -96.8 -6.32 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.8 67.96 1.43 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.543 1.152 . . . . 0.0 111.075 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.913 ' SG ' HD11 ' A' ' 59' ' ' ILE . 97.5 m -147.87 34.59 0.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 m -57.9 -22.01 46.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.591 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 8.0 pm0 -102.28 34.18 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.591 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 10.0 m-85 -129.21 8.72 5.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.417 ' O ' HG13 ' A' ' 27' ' ' ILE . 16.0 mt -63.24 -66.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.58 -18.87 33.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.723 ' HB3' HD21 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -84.06 -44.4 14.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.948 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.162 ' CD2' HD11 ' A' ' 14' ' ' LEU . 2.4 m-85 -76.55 -34.99 58.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.741 HG12 HG21 ' A' ' 32' ' ' VAL . 36.2 mt -67.47 -25.3 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -71.91 -51.26 23.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.654 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 34.6 t -79.54 -30.3 41.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 108.32 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.654 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 1.6 t30 97.24 63.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.867 HD11 HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -115.63 19.68 15.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.859 HG13 HG12 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -107.11 45.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 34' ' ' GLU . 38.3 p -132.17 16.13 4.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.585 1.178 . . . . 0.0 110.357 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.629 ' HG2' HG23 ' A' ' 10' ' ' VAL . 25.0 mt-10 33.42 40.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' CB ' ' HE2' ' A' ' 38' ' ' LYS . 10.0 mt-10 -157.19 -45.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 3.9 mm-40 -60.1 -38.99 84.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.403 1.064 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.85 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -64.24 -25.35 37.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.524 ' CB ' ' HB2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -83.79 -13.33 54.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -118.54 42.23 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.166 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.867 HD23 HD11 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -147.96 -168.15 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.225 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.525 ' HB2' HD12 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -119.26 177.26 4.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.66 ' HZ3' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -89.38 -35.77 15.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.256 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.79 ' O ' HG22 ' A' ' 46' ' ' ILE . 5.4 t70 -64.48 -17.81 64.2 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.683 HD11 HD11 ' B' ' 140' ' ' LEU . 0.2 OUTLIER -73.5 -36.71 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.827 HD23 HD13 ' A' ' 48' ' ' LEU . 1.7 mt -64.1 -41.57 97.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.79 HG22 ' O ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -48.59 -37.13 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.49 -30.75 42.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.029 HD22 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -54.7 -27.1 38.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.723 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 138.56 4.54 1.63 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.029 HG23 HD22 ' A' ' 48' ' ' LEU . 3.0 t -86.73 77.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -78.98 -17.48 55.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -69.76 98.25 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.511 HG22 HH22 ' A' ' 56' ' ' ARG . 2.1 pt -68.7 129.88 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 129.73 -95.17 0.35 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' GLY . 1.8 m-20 -35.78 -31.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.585 0.815 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 54' ' ' GLY . 4.0 mtm-85 -47.84 -33.54 7.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 57' ' ' LEU . 6.0 tt -63.62 -36.12 82.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -61.56 -53.47 55.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.913 HD11 ' SG ' ' A' ' 19' ' ' CYS . 21.8 mt -57.57 -29.39 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.579 ' HB2' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.84 -42.01 98.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.419 ' CZ ' HD21 ' A' ' 57' ' ' LEU . 23.9 mmt85 -76.97 -41.56 42.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.629 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 70.5 mmtt -61.53 -41.24 97.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.237 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.455 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 50.8 m -52.12 -34.76 45.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.042 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 60' ' ' LEU . 23.6 mttt -81.31 -17.52 48.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 18.4 t -53.74 -16.47 1.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.85 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 97.3 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.971 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . 0.405 ' CB ' HD11 ' B' ' 106' ' ' LEU . 0.0 OUTLIER -62.96 -41.1 99.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.527 ' O ' HD12 ' B' ' 95' ' ' LEU . 0.2 OUTLIER -65.54 -24.77 67.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . 0.736 ' O ' HG23 ' B' ' 100' ' ' ILE . 6.7 t80 -86.59 -43.36 12.74 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.135 . . . . 0.0 111.065 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.854 HD21 ' CE2' ' B' ' 109' ' ' PHE . 97.0 mt -61.98 -24.92 67.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.4 OUTLIER -71.75 -31.44 66.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.363 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 1.8 tp10 -81.19 -26.09 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.736 HG23 ' O ' ' B' ' 96' ' ' PHE . 0.4 OUTLIER -96.52 -20.15 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 97' ' ' LEU . . . 80.3 66.89 1.61 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . 0.841 ' SG ' HD11 ' B' ' 142' ' ' ILE . 32.4 m -140.27 45.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.403 ' O ' HD23 ' B' ' 106' ' ' LEU . 47.3 m -60.28 -18.52 49.76 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . 0.479 ' HG2' ' CD1' ' B' ' 105' ' ' TYR . 0.9 OUTLIER -101.55 30.86 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.885 ' CE2' HG11 ' B' ' 133' ' ' VAL . 24.3 m-85 -129.01 2.96 5.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.405 HD11 ' CB ' ' B' ' 94' ' ' GLN . 4.5 mm? -62.19 -65.19 0.73 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.37 -19.18 61.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . 0.732 ' HB3' HD21 ' B' ' 131' ' ' LEU . 0.3 OUTLIER -85.99 -34.82 20.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.022 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.854 ' CE2' HD21 ' B' ' 97' ' ' LEU . 2.3 m-85 -81.65 -27.7 33.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.647 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 89.7 mt -71.01 -26.37 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' B' ' 108' ' ' SER . 6.5 pt20 -82.16 -37.0 26.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . 0.882 ' HB3' HD22 ' B' ' 114' ' ' LEU . 17.2 t -81.45 -29.34 33.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 108.275 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.691 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 18.0 m-20 99.16 42.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.971 ' O ' HG21 ' B' ' 93' ' ' VAL . 0.2 OUTLIER -108.43 35.58 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.647 ' CG1' ' HA ' ' B' ' 110' ' ' ILE . 0.8 OUTLIER -98.39 21.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' THR . . . . . 0.668 HG23 ' H ' ' B' ' 119' ' ' GLU . 3.2 t -135.96 172.32 13.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.519 ' HB3' ' CE2' ' B' ' 149' ' ' PHE . 23.4 mt-10 -100.51 39.11 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -144.62 -48.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.668 ' H ' HG23 ' B' ' 116' ' ' THR . 0.6 OUTLIER -59.69 -40.27 87.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 1.272 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 1.7 pt -72.46 -18.36 18.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.495 ' HB2' ' HB2' ' B' ' 149' ' ' PHE . 10.5 ttpt -76.94 -22.43 53.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.64 42.36 2.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.822 HD22 ' O ' ' B' ' 120' ' ' ILE . 0.2 OUTLIER -119.04 158.59 25.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' ASP . . . . . 0.773 ' O ' HD22 ' B' ' 128' ' ' LEU . 0.0 OUTLIER -120.95 -176.74 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.619 ' HB3' ' CG ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -73.0 -35.24 66.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.596 ' CB ' ' HB2' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -63.51 -33.48 75.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.625 HG21 ' HB2' ' B' ' 123' ' ' LEU . 0.4 OUTLIER -67.06 -35.57 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.988 ' O ' HG22 ' B' ' 133' ' ' VAL . 0.7 OUTLIER -74.03 -53.21 10.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.462 HG22 ' O ' ' B' ' 126' ' ' ASP . 2.4 tt -54.19 -39.37 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.91 -28.72 35.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . 0.946 ' CD2' HG13 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -57.24 -27.71 62.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . 0.675 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 140.11 -11.07 3.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.107 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.988 HG22 ' O ' ' B' ' 128' ' ' LEU . 14.4 m -88.93 65.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' ASN . . . . . 0.405 ' HA ' HG12 ' B' ' 129' ' ' ILE . 12.8 p30 -55.66 -16.19 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . 0.526 ' O ' ' NH2' ' B' ' 139' ' ' ARG . 0.1 OUTLIER -64.95 96.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.675 HD12 HD12 ' A' ' 46' ' ' ILE . 13.1 pt -68.37 145.09 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 137' ' ' GLY . . . . . 0.549 ' O ' ' N ' ' B' ' 139' ' ' ARG . . . 121.54 -90.01 0.44 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.462 1.101 . . . . 0.0 111.081 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' B' ' 137' ' ' GLY . 0.2 OUTLIER -34.52 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' B' ' 137' ' ' GLY . 0.0 OUTLIER -46.12 -35.7 5.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . 0.864 ' O ' HD23 ' B' ' 140' ' ' LEU . 2.8 tt -65.33 -37.64 87.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' LYS . . . . . 0.613 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -61.64 -51.09 69.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.176 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.841 HD11 ' SG ' ' B' ' 102' ' ' CYS . 38.3 mt -65.5 -17.72 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' B' ' 125' ' ' LYS . 0.2 OUTLIER -69.02 -39.84 79.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -77.19 -47.24 20.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 110.25 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' LYS . . . . . 0.623 ' HD2' HG22 ' B' ' 100' ' ' ILE . 5.3 mmtt -61.76 -40.5 95.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 146' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 143' ' ' LEU . 17.9 p -52.9 -31.0 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.396 1.06 . . . . 0.0 110.05 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . 0.457 ' C ' ' N ' ' B' ' 149' ' ' PHE . 0.0 OUTLIER -79.18 -18.72 52.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 148' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 50.1 m -44.28 -23.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 0.0 109.965 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 149' ' ' PHE . . . . . 1.272 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 68.7 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.53 0.205 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.846 HG21 ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -58.39 -19.65 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -62.4 -40.05 95.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 12' ' ' LEU . 6.2 tt -71.11 -36.06 72.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.812 ' O ' HG23 ' A' ' 17' ' ' ILE . 64.1 t80 -77.03 -42.39 38.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.073 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.992 HD11 ' CD2' ' A' ' 26' ' ' PHE . 11.6 mt -68.55 -25.05 64.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -77.78 -39.17 44.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 13' ' ' PHE . 2.2 pt-20 -69.85 -23.65 63.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.209 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.812 HG23 ' O ' ' A' ' 13' ' ' PHE . 5.8 pt -96.15 -15.79 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.89 70.41 1.35 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 1.036 ' SG ' HD11 ' A' ' 59' ' ' ILE . 18.6 m -147.86 35.62 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -54.65 -21.28 10.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.529 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -101.23 34.73 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.612 ' CG ' ' HB3' ' A' ' 19' ' ' CYS . 8.2 m-85 -129.74 3.73 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.7 mt -60.98 -63.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.92 -18.58 57.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.704 ' HB3' HD21 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -86.37 -35.85 19.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.992 ' CD2' HD11 ' A' ' 14' ' ' LEU . 3.5 m-85 -84.18 -29.84 26.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.561 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 41.7 mt -70.51 -25.81 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.549 ' CG ' ' O ' ' A' ' 25' ' ' SER . 9.2 pt20 -79.79 -39.26 31.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 1.07 . . . . 0.0 110.366 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.673 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 48.3 t -80.48 -31.55 37.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 108.318 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.673 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 50.4 t30 98.42 49.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.228 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.847 HD11 HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -116.11 33.25 5.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 0.0 109.279 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER -95.57 21.31 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.363 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.778 HG23 ' H ' ' A' ' 36' ' ' GLU . 2.3 t -134.95 166.22 23.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.527 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 23.8 mt-10 -95.17 36.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 3.7 tt0 -143.22 -48.5 0.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.778 ' H ' HG23 ' A' ' 33' ' ' THR . 55.8 mm-40 -55.15 -39.97 70.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.365 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -71.05 -29.59 37.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 2.9 ptpt -81.6 -11.98 58.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -117.91 35.91 4.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.847 HD13 HD11 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -141.63 -175.88 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.91 ' HB3' HD21 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -114.51 -169.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.56 ' CG ' ' HB3' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -97.84 -30.38 12.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.613 ' CG ' ' HA ' ' B' ' 140' ' ' LEU . 2.4 m-20 -62.84 -32.31 73.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.575 ' CD1' ' CD1' ' B' ' 140' ' ' LEU . 1.1 mp -64.6 -32.47 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.905 HD13 HD13 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.34 -44.09 97.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.645 HD11 ' CD1' ' B' ' 136' ' ' ILE . 0.1 OUTLIER -64.08 -34.07 66.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.428 ' HB2' HH21 ' B' ' 139' ' ' ARG . . . -79.05 -28.54 43.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.23 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.043 HD22 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -54.14 -25.56 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.22 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.768 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 140.76 2.79 1.39 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.043 HG23 HD22 ' A' ' 48' ' ' LEU . 21.8 t -89.32 89.85 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -83.08 -15.7 49.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.51 98.93 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.406 1.066 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.42 ' H ' HG23 ' A' ' 53' ' ' ILE . 1.3 pt -67.64 140.67 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 123.82 -96.3 0.53 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 58' ' ' LYS . 47.8 t0 -36.77 -30.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.527 ' HB3' ' HZ1' ' A' ' 42' ' ' LYS . 2.3 mtp180 -47.99 -34.4 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.969 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -68.48 -32.87 73.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.8 OUTLIER -60.73 -50.54 73.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.036 HD11 ' SG ' ' A' ' 19' ' ' CYS . 52.5 mt -63.73 -28.5 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.606 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -53.51 -40.92 65.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -76.61 -35.96 57.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.667 ' CG ' HG21 ' A' ' 17' ' ' ILE . 6.0 mptt -58.3 -50.21 74.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.504 ' HB2' ' O ' ' A' ' 37' ' ' ILE . 54.1 p -52.54 -31.67 36.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 66' ' ' PHE . 10.7 mttp -78.73 -24.25 44.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.593 1.183 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 46.0 m -49.08 -20.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.957 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.911 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 93.5 m-85 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.932 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 18.6 tm0? -62.69 -37.67 87.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' B' ' 98' ' ' GLU . 0.0 OUTLIER -68.42 -28.94 67.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' PHE . . . . . 0.651 ' HE2' HD12 ' B' ' 120' ' ' ILE . 1.3 t80 -86.47 -45.35 11.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.936 HD21 ' CD2' ' B' ' 109' ' ' PHE . 4.5 mp -60.83 -28.74 69.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -68.96 -33.39 73.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 1.2 tp10 -69.77 -31.24 69.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.7 HD12 HG12 ' B' ' 142' ' ' ILE . 5.7 pt -96.4 -13.43 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.07 67.84 1.45 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' CYS . . . . . 0.867 ' SG ' HD11 ' B' ' 142' ' ' ILE . 56.7 m -138.05 40.24 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 27.8 m -59.46 -23.41 62.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . 0.648 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 19.9 pm0 -101.19 33.05 3.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.648 ' CE1' ' HG2' ' B' ' 104' ' ' GLN . 3.3 m-85 -128.17 1.13 5.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.548 ' C ' HD12 ' B' ' 110' ' ' ILE . 1.9 mp -56.58 -68.32 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.23 -18.32 60.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.8 m -83.02 -39.83 20.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.06 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.936 ' CD2' HD21 ' B' ' 97' ' ' LEU . 2.3 m-85 -77.72 -40.85 39.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' ILE . . . . . 0.548 HD12 ' C ' ' B' ' 106' ' ' LEU . 4.3 mt -64.01 -23.56 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -73.83 -51.2 17.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . 0.716 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 7.9 t -76.41 -27.64 56.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 108.225 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.716 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 21.2 m-20 103.75 53.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.932 ' O ' HG21 ' B' ' 93' ' ' VAL . 0.8 OUTLIER -116.48 21.83 13.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.376 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.804 HG22 ' O ' ' B' ' 115' ' ' VAL . 1.8 p -93.94 38.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 3.2 p -150.85 155.77 39.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 0.0 110.389 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.485 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 6.4 mp0 -89.14 39.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.502 ' HA ' ' HB3' ' B' ' 121' ' ' LYS . 1.9 tt0 -147.08 -46.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.329 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' B' ' 113' ' ' ASN . 0.1 OUTLIER -56.97 -48.09 79.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 110.374 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.933 ' HA ' HD22 ' B' ' 123' ' ' LEU . 3.6 pt -75.47 -13.04 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.56 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 0.1 OUTLIER -76.99 -18.18 58.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -135.66 41.63 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.955 HD12 ' CG2' ' B' ' 127' ' ' ILE . 0.0 OUTLIER -119.22 159.28 24.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' ASP . . . . . 0.527 ' HB3' HD13 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -100.71 -173.43 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' LYS . . . . . 0.581 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 0.3 OUTLIER -89.59 -35.81 15.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' ASP . . . . . 0.599 ' CB ' ' CB ' ' A' ' 57' ' ' LEU . 0.8 OUTLIER -66.41 -21.7 66.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.955 ' CG2' HD12 ' B' ' 123' ' ' LEU . 0.2 OUTLIER -76.81 -40.37 31.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.603 ' O ' HG12 ' B' ' 133' ' ' VAL . 3.6 pp -79.46 -44.94 20.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' ILE . . . . . 0.525 ' CG2' ' HA ' ' B' ' 126' ' ' ASP . 0.0 OUTLIER -48.89 -37.28 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -77.74 -27.83 50.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . 0.922 ' C ' HD23 ' B' ' 131' ' ' LEU . 0.0 OUTLIER -54.09 -27.74 34.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.357 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . 0.868 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 132.43 21.83 0.91 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.565 1.165 . . . . 0.0 110.985 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.873 HG12 HD22 ' B' ' 131' ' ' LEU . 2.3 p -120.62 75.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' B' ' 136' ' ' ILE . 13.9 p-10 -84.39 -16.68 41.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -40.89 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.645 ' CD1' HD11 ' A' ' 46' ' ' ILE . 1.1 mp -60.47 129.25 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 137' ' ' GLY . . . . . 0.526 ' H ' ' CG ' ' B' ' 139' ' ' ARG . . . 118.26 -97.22 0.71 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.555 1.159 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' B' ' 141' ' ' LYS . 20.1 m-20 -38.22 -31.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' ARG . . . . . 0.551 ' C ' ' OD1' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -47.31 -34.26 6.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . 0.613 ' HA ' ' CG ' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -72.94 -34.31 66.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.393 1.058 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' LYS . . . . . 0.491 ' CD ' ' C ' ' B' ' 141' ' ' LYS . 0.0 OUTLIER -56.77 -53.14 61.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 142' ' ' ILE . . . . . 0.867 HD11 ' SG ' ' B' ' 102' ' ' CYS . 14.0 mt -58.01 -36.23 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.91 HD21 ' HB3' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -64.07 -36.95 85.67 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -80.02 -47.11 15.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.363 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' LYS . . . . . 0.559 ' HG3' HG22 ' B' ' 100' ' ' ILE . 1.2 mmtt -63.89 -35.64 81.32 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 146' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' B' ' 143' ' ' LEU . 3.1 p -52.3 -30.5 28.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.973 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 147' ' ' LYS . . . . . 0.476 ' C ' ' N ' ' B' ' 149' ' ' PHE . 6.6 mtpt -82.26 -15.49 52.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 148' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 71.5 m -44.69 -19.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.906 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 149' ' ' PHE . . . . . 0.713 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 89.7 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 107.89 2.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.53 40.72 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.085 HG13 HD22 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -59.72 -21.4 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -61.17 -33.67 73.8 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.404 1.065 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.566 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -70.55 -39.02 74.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.236 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 20.8 t80 -79.48 -43.0 24.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.172 HD21 ' CD2' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -64.48 -27.01 68.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 5.5 mt-10 -76.84 -25.3 53.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.522 ' HG3' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.19 -25.8 39.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.566 1.166 . . . . 0.0 110.247 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.522 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 15.2 pt -98.12 -11.44 8.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.71 67.62 1.48 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.128 . . . . 0.0 111.085 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.713 ' SG ' HD11 ' A' ' 59' ' ' ILE . 30.2 m -137.49 39.67 2.44 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 m -59.31 -23.85 62.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.563 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -101.38 31.46 3.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.779 ' CD2' HG11 ' A' ' 50' ' ' VAL . 16.6 m-85 -129.68 7.71 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.068 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -66.6 -66.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.99 -17.48 57.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.418 1.074 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.643 ' CB ' HD21 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -83.58 -47.78 10.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.35 1.031 . . . . 0.0 110.082 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.172 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.9 m-85 -67.77 -41.6 83.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.462 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 20.6 mt -62.37 -23.64 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -74.55 -45.82 43.02 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.701 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 28.8 t -82.89 -27.79 30.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 108.263 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.701 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 13.1 m-20 100.36 61.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.661 ' O ' HG21 ' A' ' 10' ' ' VAL . 1.9 mm? -124.08 32.19 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.241 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 32' ' ' VAL . 2.0 m -95.89 19.66 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.082 . . . . 0.0 109.239 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.418 ' OG1' ' HB2' ' A' ' 36' ' ' GLU . 1.1 p -126.34 156.81 39.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.485 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.581 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 24.3 mt-10 -87.35 35.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.23 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 10.5 pt-20 -147.43 -44.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.655 ' HB3' HD13 ' A' ' 31' ' ' LEU . 11.4 mm-40 -51.98 -44.33 63.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.868 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 1.4 pt -75.71 -18.38 15.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HB2' ' CB ' ' A' ' 66' ' ' PHE . 6.6 ttpp -72.15 -17.15 61.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -130.25 41.7 3.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.877 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -118.33 164.66 14.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.666 ' OD2' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -117.28 176.36 5.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.987 ' O ' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -72.93 -37.86 67.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.783 ' HA ' ' CG2' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -63.1 -28.23 69.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.666 HD12 ' OD2' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -71.08 -37.18 66.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.701 HD13 ' NH2' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -72.99 -54.15 9.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.072 . . . . 0.0 109.365 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.987 HG22 ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -53.38 -37.4 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.45 -27.14 56.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.063 ' CD2' HG13 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -61.9 -27.97 69.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.738 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 131.1 21.67 1.06 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.556 1.16 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.063 HG13 ' CD2' ' A' ' 48' ' ' LEU . 2.9 m -122.1 72.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.73 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -71.79 -13.63 61.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -48.28 99.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.239 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.781 HG23 HD11 ' B' ' 129' ' ' ILE . 37.3 mm -66.85 138.24 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 115.66 -95.21 0.69 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' GLY . 20.8 t70 -37.67 -31.18 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 0.797 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.701 ' NH2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -49.55 -42.22 43.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.427 1.079 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.743 HD11 HD12 ' B' ' 127' ' ' ILE . 6.7 tt -63.62 -38.54 91.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 0.0 109.323 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -55.07 39.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.59 1.181 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.713 HD11 ' SG ' ' A' ' 19' ' ' CYS . 3.3 mt -54.9 -36.55 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.12 . . . . 0.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.666 HD21 ' CB ' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -61.12 -37.18 81.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -51.89 11.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 65' ' ' SER . 7.2 mmtt -61.26 -34.07 74.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 m -51.73 -36.39 46.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -76.85 -18.2 58.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 10.5 t -49.41 -17.23 0.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.459 1.099 . . . . 0.0 109.923 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.868 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 86.8 m-85 -91.11 135.36 33.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -118.32 -65.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 158.51 42.64 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.467 1.772 . . . . 0.0 111.073 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -155.27 82.19 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.921 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER -57.12 -19.49 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -62.24 -41.59 98.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.712 ' C ' HD13 ' B' ' 95' ' ' LEU . 1.0 OUTLIER -68.26 -23.4 64.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' B' ' 145' ' ' LYS . 3.2 t80 -84.92 -43.2 14.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 111.03 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.781 HD23 HD11 ' B' ' 100' ' ' ILE . 72.8 mt -65.64 -26.34 67.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' B' ' 95' ' ' LEU . 0.9 OUTLIER -64.59 -32.84 74.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 2.3 tt0 -80.0 -33.72 39.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.339 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.781 HD11 HD23 ' B' ' 97' ' ' LEU . 9.3 pt -97.42 24.21 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.215 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' B' ' 100' ' ' ILE . . . 32.08 76.89 0.03 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' B' ' 105' ' ' TYR . 67.4 m -142.12 45.54 1.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.4 ' O ' HD13 ' B' ' 106' ' ' LEU . 23.0 m -60.8 -19.34 59.36 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.6 1.188 . . . . 0.0 110.34 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . 0.606 ' HG3' ' CE1' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -96.09 24.12 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.321 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.728 ' CD2' HG11 ' B' ' 133' ' ' VAL . 31.1 m-85 -128.29 20.6 6.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.448 ' O ' HG13 ' B' ' 110' ' ' ILE . 9.4 mp -79.81 -67.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.27 -17.32 63.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.168 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . 0.563 ' CB ' HD21 ' B' ' 131' ' ' LEU . 5.5 p -81.87 -39.08 24.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.711 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 2.9 m-85 -76.73 -38.3 54.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.475 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 80.2 mt -61.76 -24.23 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.406 1.066 . . . . 0.0 109.396 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -81.24 -44.02 18.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.391 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . 0.676 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 8.2 t -78.59 -28.83 45.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 108.253 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.676 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 6.9 m-20 97.61 65.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.921 ' O ' HG21 ' B' ' 93' ' ' VAL . 92.3 mt -133.3 32.6 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 115' ' ' VAL . 2.0 m -94.69 18.48 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . 0.514 ' O ' HD13 ' B' ' 120' ' ' ILE . 77.7 m -127.26 158.85 36.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.434 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.559 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 29.3 mt-10 -88.57 25.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 122' ' ' TYR . 0.0 OUTLIER -136.85 -44.48 0.58 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.25 -42.9 61.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.448 1.093 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.859 HG22 HD22 ' B' ' 114' ' ' LEU . 0.4 OUTLIER -69.02 -30.38 46.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.553 1.158 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.53 ' CB ' ' HB2' ' B' ' 149' ' ' PHE . 0.0 OUTLIER -83.94 -13.07 54.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.38 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' B' ' 118' ' ' GLU . 0.2 OUTLIER -119.33 41.14 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.967 HD13 ' C ' ' B' ' 123' ' ' LEU . 0.0 OUTLIER -144.23 -168.8 2.97 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.584 1.178 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . 0.721 ' N ' HD13 ' B' ' 123' ' ' LEU . 5.2 m-20 -121.27 -175.03 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.706 ' HA ' HD12 ' B' ' 128' ' ' LEU . 0.0 OUTLIER -93.25 -33.78 13.82 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.7 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -61.28 -16.75 48.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.743 HD12 HD11 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -76.33 -38.69 33.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' B' ' 125' ' ' LYS . 1.2 mt -63.35 -53.57 50.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.814 HG21 ' HE2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -52.39 -38.28 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . 0.75 ' N ' HD13 ' B' ' 129' ' ' ILE . . . -79.08 -28.33 43.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 1.064 ' CD2' HG13 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -55.24 -28.04 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.339 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . 0.683 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 130.29 22.13 1.12 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.552 1.157 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 1.064 HG13 ' CD2' ' B' ' 131' ' ' LEU . 3.4 m -119.73 77.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 109.314 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' B' ' 136' ' ' ILE . 8.5 p30 -76.14 -15.73 60.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.551 ' O ' ' CD ' ' B' ' 139' ' ' ARG . 10.9 mtpt -46.9 90.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.941 HD13 HD11 ' A' ' 46' ' ' ILE . 85.0 mt -57.61 134.53 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.433 1.083 . . . . 0.0 109.218 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' B' ' 140' ' ' LEU . . . 117.36 -94.6 0.63 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' B' ' 137' ' ' GLY . 1.7 m-20 -37.35 -34.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 0.731 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . 0.717 HH21 HG13 ' B' ' 129' ' ' ILE . 0.0 OUTLIER -49.33 -39.41 31.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.342 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . 0.74 HD12 ' HB3' ' A' ' 43' ' ' ASP . 3.8 tt -66.91 -35.9 81.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . 0.429 ' HE2' ' CA ' ' B' ' 100' ' ' ILE . 0.0 OUTLIER -59.94 -53.38 58.54 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.555 HG21 HD22 ' B' ' 128' ' ' LEU . 4.0 mt -55.6 -34.23 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.581 ' HB3' ' O ' ' B' ' 140' ' ' LEU . 0.2 OUTLIER -55.62 -44.82 77.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -76.57 -40.78 48.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.586 1.179 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' LYS . . . . . 0.537 ' CG ' HG21 ' B' ' 100' ' ' ILE . 36.1 mmtt -61.89 -40.89 96.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' B' ' 120' ' ' ILE . 29.7 m -52.74 -34.04 50.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 110.024 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.467 ' C ' ' N ' ' B' ' 149' ' ' PHE . 63.8 mttt -79.32 -16.58 56.13 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 27.9 t -43.09 -22.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' PHE . . . . . 0.856 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 42.1 m-85 -92.38 124.02 36.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 111.052 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -100.42 -23.26 14.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 0.0 110.349 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.594 ' O ' ' CE2' ' A' ' 9' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' C ' ' CD2' ' A' ' 9' ' ' PHE . 18.5 Cg_endo -74.92 -175.63 2.45 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.421 1.748 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -160.21 115.51 2.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.72 HG21 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -58.76 -21.1 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 27.6 tt0 -62.48 -38.54 90.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 1.072 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.615 ' C ' HD13 ' A' ' 12' ' ' LEU . 2.7 tm? -70.4 -39.61 74.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.234 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 9.8 t80 -74.33 -38.15 63.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.938 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.85 HD11 ' CD2' ' A' ' 26' ' ' PHE . 11.3 mt -67.19 -33.76 76.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.841 ' CG ' HG22 ' A' ' 20' ' ' THR . 2.7 mt-10 -72.02 -25.11 61.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.21 -29.47 38.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.588 1.18 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.619 HD11 ' CD2' ' A' ' 14' ' ' LEU . 6.8 pt -96.93 -9.09 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.96 77.38 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.835 ' SG ' HD11 ' A' ' 59' ' ' ILE . 66.1 m -153.8 37.95 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.841 HG22 ' CG ' ' A' ' 15' ' ' GLU . 73.3 p -58.33 -24.73 60.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.612 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 5.5 pm0 -101.7 36.11 2.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.622 ' CD1' ' HA ' ' A' ' 19' ' ' CYS . 5.0 m-85 -130.51 4.66 4.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 111.058 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 20' ' ' THR . 9.2 mp -59.64 -66.85 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.372 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.93 -18.49 60.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.527 ' HB3' HD21 ' A' ' 48' ' ' LEU . 1.8 m -81.02 -47.97 12.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.031 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.85 ' CD2' HD11 ' A' ' 14' ' ' LEU . 3.8 m-85 -71.45 -39.92 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.485 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 36.7 mt -63.38 -23.68 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -76.94 -41.49 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.672 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 53.9 t -83.15 -28.63 29.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 108.25 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.672 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 13.0 m-20 98.55 53.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.842 HD11 HD23 ' A' ' 40' ' ' LEU . 1.1 mm? -119.02 33.43 5.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 32' ' ' VAL . 2.0 m -94.57 18.89 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.563 ' O ' HD13 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -125.31 159.3 32.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.366 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.631 ' HA ' ' CE1' ' A' ' 66' ' ' PHE . 18.9 mt-10 -91.29 34.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.218 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 8.4 mt-10 -148.13 -44.96 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -53.66 -39.94 65.48 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.595 1.185 . . . . 0.0 110.227 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.922 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -69.02 -28.9 41.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.495 ' CB ' ' HB2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -83.9 -13.45 53.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.05 44.63 1.9 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.842 HD23 HD11 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -141.87 -169.33 2.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 1.073 ' HB2' HD13 ' A' ' 44' ' ' ILE . 28.3 m-20 -115.68 -174.47 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.811 ' O ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -82.71 -43.47 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.666 ' CG ' ' HB2' ' B' ' 140' ' ' LEU . 5.6 t70 -64.36 -25.81 68.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.077 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 1.073 HD13 ' HB2' ' A' ' 41' ' ' ASP . 1.4 mp -56.65 -40.06 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.976 HD22 HG21 ' A' ' 59' ' ' ILE . 1.1 mt -79.41 -49.06 12.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.165 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.938 HG22 ' HG2' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -55.64 -38.02 48.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.14 -24.65 47.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.914 HD23 ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -53.89 -30.32 45.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.914 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 147.36 -11.42 1.35 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.357 1.035 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.886 HG12 HD22 ' A' ' 48' ' ' LEU . 2.3 p -87.3 83.84 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -82.04 -17.78 45.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.588 ' CG ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -51.78 98.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.24 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.734 HG23 HD11 ' B' ' 129' ' ' ILE . 30.9 mt -62.2 136.61 25.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 117.99 -94.71 0.61 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.593 1.183 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' GLY . 2.0 m-20 -37.28 -30.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 0.798 . . . . 0.0 109.293 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.938 ' HG2' HG22 ' A' ' 46' ' ' ILE . 6.9 mtp180 -47.85 -50.84 25.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.592 ' HB2' ' CG ' ' B' ' 126' ' ' ASP . 5.5 tt -50.85 -45.24 59.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -53.9 -53.29 54.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.244 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.976 HG21 HD22 ' A' ' 45' ' ' LEU . 31.7 mt -55.04 -39.84 51.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.804 HD21 ' CG ' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -63.63 -33.97 76.8 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.53 -45.52 30.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.525 ' CE ' HG22 ' A' ' 17' ' ' ILE . 17.7 mmtm -61.53 -39.61 91.66 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 51.0 m -51.93 -32.79 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.085 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -76.78 -19.68 57.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.465 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 46.9 m -53.22 -16.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.922 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 97.0 m-85 -92.86 124.19 36.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 8.1 mt-30 -118.51 -81.64 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.134 . . . . 0.0 110.236 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.507 HD12 ' HD2' ' B' ' 92' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 95.63 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . 0.771 ' HB3' HD23 ' B' ' 95' ' ' LEU . 0.1 OUTLIER -149.43 52.18 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 111.007 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.962 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.4 OUTLIER -57.81 -24.19 22.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.424 1.077 . . . . 0.0 109.361 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . 0.682 ' HB2' HD11 ' B' ' 106' ' ' LEU . 1.3 tm0? -62.78 -40.6 97.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.771 HD23 ' HB3' ' B' ' 92' ' ' PHE . 0.2 OUTLIER -64.85 -25.63 67.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . 0.641 ' O ' HG23 ' B' ' 100' ' ' ILE . 6.1 t80 -87.45 -43.14 12.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.704 HD13 ' HB2' ' B' ' 105' ' ' TYR . 18.3 mt -61.58 -24.58 66.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.239 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -69.72 -31.82 70.03 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 6.9 tp10 -80.58 -27.93 37.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.399 1.062 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.645 HG22 ' HD2' ' B' ' 145' ' ' LYS . 0.3 OUTLIER -95.2 -17.89 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.236 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' B' ' 97' ' ' LEU . . . 81.37 66.86 1.57 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.851 ' SG ' HD11 ' B' ' 142' ' ' ILE . 61.1 m -143.41 40.71 1.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 3.0 m -58.78 -21.6 56.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . 0.545 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 18.8 pm0 -102.79 34.74 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.761 ' CD2' HG11 ' B' ' 133' ' ' VAL . 6.1 m-85 -128.84 3.48 5.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' B' ' 94' ' ' GLN . 3.8 mm? -63.02 -65.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.226 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.35 -16.85 9.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . 0.8 ' HB3' HD21 ' B' ' 131' ' ' LEU . 0.4 OUTLIER -90.66 -39.83 12.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 110.004 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.74 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 3.4 m-85 -76.27 -37.87 56.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.671 ' HA ' HG12 ' B' ' 115' ' ' VAL . 57.0 mt -60.72 -24.76 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.215 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -81.02 -45.52 16.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . 0.688 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 42.2 t -72.49 -27.4 62.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.155 . . . . 0.0 108.257 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.688 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 10.5 m-20 99.46 45.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.962 ' O ' HG21 ' B' ' 93' ' ' VAL . 68.7 mt -116.65 40.36 2.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.671 HG12 ' HA ' ' B' ' 110' ' ' ILE . 0.5 OUTLIER -101.22 12.25 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 6.0 p -123.6 161.63 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.458 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.51 ' HB3' ' CE2' ' B' ' 149' ' ' PHE . 27.6 mt-10 -89.89 31.21 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.25 -45.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.33 -44.22 54.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.839 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 0.6 OUTLIER -74.15 -25.87 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.4 1.062 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.533 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 4.6 ttpm? -68.18 -17.65 64.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -130.36 39.36 3.65 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.722 HD22 ' O ' ' B' ' 120' ' ' ILE . 0.3 OUTLIER -121.75 175.31 6.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.237 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . 0.804 ' CG ' HD21 ' A' ' 60' ' ' LEU . 68.8 m-20 -122.38 -168.25 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.234 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 1.057 ' O ' HG23 ' B' ' 129' ' ' ILE . 0.0 OUTLIER -87.91 -38.27 15.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 1.187 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.637 ' H ' ' HZ3' ' A' ' 42' ' ' LYS . 6.2 t70 -62.63 -19.64 63.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.408 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.61 ' CG2' HD12 ' B' ' 123' ' ' LEU . 0.7 OUTLIER -76.22 -40.35 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.981 HD22 ' CG2' ' B' ' 142' ' ' ILE . 0.4 OUTLIER -77.11 -42.1 39.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 1.057 HG23 ' O ' ' B' ' 125' ' ' LYS . 0.7 OUTLIER -59.28 -39.77 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . 0.533 ' N ' HD12 ' B' ' 129' ' ' ILE . . . -78.53 -26.22 45.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 109.379 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 1.061 HD22 HG13 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -55.61 -29.53 59.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.586 1.179 . . . . 0.0 109.33 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . 0.789 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 133.26 22.59 0.79 Allowed Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 1.061 HG13 HD22 ' B' ' 131' ' ' LEU . 2.5 m -121.5 79.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.382 0.696 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' B' ' 136' ' ' ILE . 15.1 p30 -76.32 -16.7 59.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.494 ' O ' ' HD3' ' B' ' 139' ' ' ARG . 21.3 mttp -46.51 91.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.397 1.061 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' B' ' 134' ' ' ASN . 3.8 mt -58.48 128.45 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . 0.653 ' O ' ' N ' ' B' ' 140' ' ' LEU . . . 123.74 -96.01 0.53 Allowed Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.447 1.092 . . . . 0.0 111.049 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.451 ' O ' ' HG3' ' B' ' 141' ' ' LYS . 1.4 m-20 -36.39 -50.91 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 0.73 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . 0.866 HH21 ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -44.54 -28.06 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . 0.773 ' HA ' HD23 ' B' ' 143' ' ' LEU . 2.5 tt -68.23 -53.96 21.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . 0.556 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -53.51 -35.88 61.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.981 ' CG2' HD22 ' B' ' 128' ' ' LEU . 9.8 mt -56.23 -49.38 76.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.773 HD23 ' HA ' ' B' ' 140' ' ' LEU . 0.8 OUTLIER -61.39 -30.03 70.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.241 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -51.66 9.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' LYS . . . . . 0.645 ' HD2' HG22 ' B' ' 100' ' ' ILE . 0.8 OUTLIER -66.5 -28.79 68.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . 0.594 ' OG ' HD21 ' B' ' 123' ' ' LEU . 17.5 m -54.0 -31.73 51.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.469 ' C ' ' N ' ' B' ' 149' ' ' PHE . 2.0 mtpt -78.66 -15.95 57.88 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 35.6 t -46.62 -19.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.987 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' PHE . . . . . 0.839 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 94.0 m-85 -91.43 137.31 32.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -119.91 -45.79 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.466 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 3.9 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.557 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 18.2 Cg_endo -75.01 143.5 29.09 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 8' ' ' PRO . 22.8 m-85 -146.31 67.99 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.031 HG21 ' O ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -57.65 -23.41 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -62.81 -40.84 98.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 12' ' ' LEU . 3.3 tt -71.83 -24.85 61.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.628 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 31.4 t80 -80.11 -41.63 25.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.646 HD13 ' HB2' ' A' ' 22' ' ' TYR . 4.8 mt -68.81 -30.68 69.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.03 -35.49 81.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.432 1.082 . . . . 0.0 110.248 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -80.45 -32.47 37.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.573 HD12 HG12 ' A' ' 59' ' ' ILE . 2.1 pt -99.13 25.9 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.348 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' ILE . . . 34.01 83.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.533 1.145 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.59 ' SG ' HD11 ' A' ' 59' ' ' ILE . 48.6 m -153.37 32.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -55.39 -18.91 7.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.493 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 7.7 pt20 -98.93 29.08 3.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.646 ' HB2' HD13 ' A' ' 14' ' ' LEU . 9.6 m-85 -128.35 1.53 5.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 27' ' ' ILE . 2.7 mm? -63.52 -65.45 0.68 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.378 1.048 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -16.41 17.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.634 ' HB3' HD21 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -91.26 -41.91 10.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.374 1.046 . . . . 0.0 109.927 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.718 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 2.4 m-85 -70.21 -40.33 74.63 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.614 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 29.1 mt -62.97 -24.27 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -75.54 -46.67 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.701 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 39.7 t -79.0 -29.19 43.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 108.292 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.701 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 22.4 m-20 101.36 56.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.031 ' O ' HG21 ' A' ' 10' ' ' VAL . 1.3 mm? -120.3 35.61 4.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.406 1.066 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER -98.17 21.25 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.418 1.074 . . . . 0.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.1 m -133.15 161.12 35.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.448 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.516 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 35.1 mt-10 -89.71 22.85 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -132.27 -44.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 110.362 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' HB3' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -53.79 -44.49 70.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.809 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 1.2 pt -72.95 -18.59 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.552 ' HB2' ' HB2' ' A' ' 66' ' ' PHE . 5.6 tttm -77.7 -17.34 57.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.402 1.064 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -123.43 42.08 3.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.402 1.064 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.806 HD22 ' O ' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -134.9 156.88 48.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.371 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.501 ' CG ' HD21 ' B' ' 143' ' ' LEU . 2.7 m-20 -100.32 -160.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.934 ' HD2' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -93.54 -42.22 9.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.775 ' O ' HG22 ' A' ' 46' ' ' ILE . 8.0 t0 -61.8 -29.68 70.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.52 HG21 ' HB2' ' A' ' 40' ' ' LEU . 1.1 mp -60.68 -37.2 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.771 HD23 HD13 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -81.27 -41.15 22.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.775 HG22 ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -49.54 -38.55 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.18 -25.52 47.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.898 HD23 ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -58.77 -28.84 66.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.231 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.768 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 140.58 -5.91 2.64 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.672 HG12 HD22 ' A' ' 48' ' ' LEU . 3.0 p -94.05 72.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 0.0 109.391 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -77.59 -17.09 58.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.433 ' NZ ' ' HB3' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -51.3 102.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.715 HG23 ' CD1' ' B' ' 129' ' ' ILE . 39.0 mt -64.9 134.15 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 121.22 -94.89 0.55 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.479 1.112 . . . . 0.0 111.052 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 54' ' ' GLY . 2.8 m-20 -35.24 -32.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.637 HH21 ' CD1' ' B' ' 129' ' ' ILE . 2.5 ttp-105 -48.07 -32.1 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.261 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.622 ' HB2' ' CB ' ' B' ' 126' ' ' ASP . 0.2 OUTLIER -70.71 -34.48 71.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.593 ' HG3' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.07 -51.27 70.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.593 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 27.7 mt -63.2 -24.16 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.223 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.938 HD11 ' OD1' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -65.53 -41.82 92.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -41.34 46.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.628 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 40.7 mmtt -61.68 -45.2 95.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 37' ' ' ILE . 4.3 p -50.45 -30.44 12.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.125 . . . . 0.0 110.058 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -79.98 -22.51 42.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 62' ' ' LYS . 53.0 m -41.85 -25.05 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.809 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 41.8 m-85 -93.38 124.99 37.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.92 -30.32 6.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.081 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.403 ' N ' ' HD3' ' B' ' 91' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . 0.544 ' C ' ' CG ' ' B' ' 92' ' ' PHE . 18.5 Cg_endo -74.87 -89.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.472 1.775 . . . . 0.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . 0.544 ' CG ' ' C ' ' B' ' 91' ' ' PRO . 0.1 OUTLIER -159.7 125.22 4.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 111.073 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.894 HG13 HD22 ' B' ' 97' ' ' LEU . 0.4 OUTLIER -57.17 -22.7 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.401 1.063 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . 0.548 ' CG ' HD11 ' B' ' 106' ' ' LEU . 61.3 mt-30 -62.64 -42.64 99.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.373 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.817 HD13 ' O ' ' B' ' 95' ' ' LEU . 2.6 tm? -66.02 -24.69 66.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . 0.718 ' CE1' HG21 ' B' ' 100' ' ' ILE . 2.8 t80 -87.97 -43.69 11.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 1.01 HD21 ' CD2' ' B' ' 109' ' ' PHE . 0.6 OUTLIER -60.11 -24.01 64.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -73.71 -32.5 63.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 4.0 tt0 -78.91 -25.01 43.75 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.788 HG22 ' HD2' ' B' ' 145' ' ' LYS . 0.6 OUTLIER -95.44 -15.97 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.84 67.49 1.51 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.422 1.076 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.61 ' HA ' ' CD1' ' B' ' 105' ' ' TYR . 93.8 m -139.32 37.06 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 60.6 p -57.32 -24.97 58.43 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.532 1.145 . . . . 0.0 110.489 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . 0.583 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 1.4 pm0 -102.78 35.82 2.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.61 ' CD1' ' HA ' ' B' ' 102' ' ' CYS . 6.5 m-85 -128.98 3.48 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.548 HD11 ' CG ' ' B' ' 94' ' ' GLN . 0.1 OUTLIER -61.82 -65.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.4 -16.04 20.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . 0.537 ' HB3' HD21 ' B' ' 131' ' ' LEU . 12.4 m -89.29 -47.96 7.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 1.01 ' CD2' HD21 ' B' ' 97' ' ' LEU . 2.6 m-85 -68.38 -40.52 81.38 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.6 1.187 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.518 HG13 ' O ' ' B' ' 106' ' ' LEU . 14.8 mt -65.01 -23.67 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -72.45 -51.97 17.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . 0.655 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 33.4 t -81.49 -27.44 34.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.417 1.073 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.655 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 1.6 m-20 96.52 63.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.943 HD11 HD23 ' B' ' 123' ' ' LEU . 0.5 OUTLIER -115.82 17.5 16.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.339 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.816 HG22 ' O ' ' B' ' 115' ' ' VAL . 1.3 p -109.32 51.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.234 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . 0.46 ' O ' ' N ' ' B' ' 118' ' ' GLU . 19.6 m -138.21 20.1 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.598 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 19.0 mt-10 34.1 36.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.246 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' B' ' 116' ' ' THR . 16.8 tt0 -155.7 -44.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -37.43 78.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.829 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 0.5 OUTLIER -67.61 -26.05 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.521 ' CB ' ' HB2' ' B' ' 149' ' ' PHE . 1.3 pttt -85.35 -13.76 48.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.407 1.067 . . . . 0.0 109.25 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -116.69 42.81 2.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.943 HD23 HD11 ' B' ' 114' ' ' LEU . 0.1 OUTLIER -143.48 -169.32 3.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.235 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . 0.938 ' OD1' HD11 ' A' ' 60' ' ' LEU . 30.3 m-20 -121.93 -171.81 2.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.84 ' HG3' ' HZ2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -85.98 -34.58 20.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.676 ' HB2' ' HZ1' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -64.87 -27.2 68.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.61 ' CG2' HD22 ' B' ' 123' ' ' LEU . 1.1 mp -67.99 -37.73 78.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' B' ' 124' ' ' ASP . 1.9 mm? -69.13 -52.99 22.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.715 ' CD1' HG23 ' A' ' 53' ' ' ILE . 2.3 pp -60.71 -32.11 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -78.2 -29.36 48.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 1.05 HD22 HG23 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -58.08 -27.22 63.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.243 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . 0.852 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 133.53 37.72 0.23 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.57 1.169 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 1.05 HG23 HD22 ' B' ' 131' ' ' LEU . 4.4 t -123.51 74.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.45 0.735 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . 0.546 ' C ' HH21 ' B' ' 139' ' ' ARG . 2.0 m-20 -66.65 -17.31 64.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' B' ' 139' ' ' ARG . 23.9 mttp -54.68 97.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 109.25 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.496 ' HA ' ' CD ' ' B' ' 139' ' ' ARG . 66.4 mt -66.78 129.8 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . 0.531 ' O ' ' OD1' ' A' ' 43' ' ' ASP . . . 117.96 -97.11 0.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' B' ' 141' ' ' LYS . 1.0 OUTLIER -36.59 -34.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.744 . . . . 0.0 109.334 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . 0.742 ' HD3' ' HZ1' ' B' ' 125' ' ' LYS . 4.4 ptp180 -45.86 -34.55 3.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . 0.785 ' O ' HD23 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -75.88 -34.54 60.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . 0.693 ' N ' HD23 ' B' ' 140' ' ' LEU . 0.0 OUTLIER -52.86 -43.93 66.44 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.564 HD11 ' SG ' ' B' ' 102' ' ' CYS . 84.5 mt -63.79 -43.34 97.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.394 1.059 . . . . 0.0 109.222 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.785 HD23 ' O ' ' B' ' 140' ' ' LEU . 0.0 OUTLIER -57.5 -26.87 61.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -50.72 8.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' LYS . . . . . 0.788 ' HD2' HG22 ' B' ' 100' ' ' ILE . 0.1 OUTLIER -64.81 -31.5 72.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' B' ' 143' ' ' LEU . 1.5 p -51.19 -31.73 21.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 109.997 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' B' ' 149' ' ' PHE . 36.4 mtmt -79.15 -17.65 54.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.42 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' SER . . . . . 0.508 ' N ' ' O ' ' B' ' 145' ' ' LYS . 48.7 m -50.73 -18.5 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.956 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' PHE . . . . . 0.829 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 87.9 m-85 -91.76 -175.08 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.066 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . 0.461 ' HB2' ' HZ2' ' B' ' 121' ' ' LYS . 3.2 mt-30 -37.26 -93.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.369 1.043 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.236 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.411 ' O ' ' OE2' ' A' ' 34' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 90.78 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.79 59.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.761 HG21 ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -58.08 -19.97 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 57.6 mt-30 -61.63 -41.08 96.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.62 -39.18 67.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 6.9 t80 -71.88 -41.33 68.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.991 HD11 ' CD2' ' A' ' 26' ' ' PHE . 10.5 mt -65.08 -37.77 88.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 3.1 mt-10 -70.04 -34.8 73.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -29.05 68.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 110.232 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.569 HD11 HD23 ' A' ' 14' ' ' LEU . 19.2 pt -96.92 -9.38 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.92 73.1 1.26 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.439 1.087 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.819 ' SG ' HD11 ' A' ' 59' ' ' ILE . 97.8 m -146.65 36.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.437 ' OG1' ' CG ' ' A' ' 15' ' ' GLU . 3.7 m -57.66 -22.52 46.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 3.3 pt20 -101.83 34.61 2.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.075 . . . . 0.0 110.338 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.594 ' CG ' ' HB3' ' A' ' 19' ' ' CYS . 7.3 m-85 -129.17 5.4 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 27' ' ' ILE . 20.9 mt -57.11 -68.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -64.97 -17.87 64.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.758 ' HB3' HD11 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -78.61 -55.45 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.991 ' CD2' HD11 ' A' ' 14' ' ' LEU . 1.7 m-85 -66.01 -39.26 90.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.97 HG12 HG21 ' A' ' 32' ' ' VAL . 49.4 mt -62.47 -24.39 35.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -74.69 -39.24 62.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.639 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 18.1 t -89.2 -28.46 19.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.639 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 3.1 m-20 95.09 55.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.761 ' O ' HG21 ' A' ' 10' ' ' VAL . 14.0 mt -113.18 22.85 13.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.97 HG21 HG12 ' A' ' 27' ' ' ILE . 5.0 t -94.28 37.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 m -139.66 143.9 37.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.671 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 30.8 mt-10 -80.32 17.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -131.05 -46.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 2.3 mm-40 -58.87 -42.5 89.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.168 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 2.3 pt -73.53 -18.93 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.553 ' HB2' ' CB ' ' A' ' 66' ' ' PHE . 1.5 ttpm? -85.65 -16.5 38.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -123.88 44.4 2.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.736 HD22 ' O ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -129.72 175.22 9.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.464 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 1.5 m-20 -103.53 175.52 5.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.837 ' O ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -84.23 -31.79 24.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.649 ' HB3' HD12 ' B' ' 140' ' ' LEU . 0.3 OUTLIER -79.41 -15.51 57.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.183 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 1.015 HD12 HD11 ' B' ' 140' ' ' LEU . 0.1 OUTLIER -72.4 -39.55 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.811 HD22 HG22 ' A' ' 59' ' ' ILE . 2.8 pp -70.49 -49.67 45.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.016 HG21 ' NZ ' ' B' ' 125' ' ' LYS . 0.8 OUTLIER -50.46 -35.6 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.523 ' N ' HG13 ' A' ' 46' ' ' ILE . . . -77.96 -27.39 49.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.758 HD11 ' HB3' ' A' ' 25' ' ' SER . 0.3 OUTLIER -53.38 -29.26 33.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.404 1.065 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.21 -14.65 1.67 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.152 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.607 HG12 ' HG ' ' A' ' 48' ' ' LEU . 2.2 p -86.05 75.98 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.523 ' OD1' HD11 ' B' ' 136' ' ' ILE . 8.4 t30 -79.44 -15.31 58.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 19.8 mtpp -48.75 98.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.862 HG23 ' CD1' ' B' ' 129' ' ' ILE . 57.4 mt -62.39 131.91 27.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 120.45 -96.5 0.62 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.552 1.157 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' GLY . 15.2 t70 -36.29 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.999 ' NH2' HD13 ' B' ' 129' ' ' ILE . 2.4 mtp180 -47.12 -35.1 6.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.6 1.188 . . . . 0.0 110.357 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.593 ' HB2' ' CB ' ' B' ' 126' ' ' ASP . 10.0 tt -63.69 -36.21 83.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -61.89 -54.94 35.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.819 HD11 ' SG ' ' A' ' 19' ' ' CYS . 45.2 mt -58.0 -28.83 34.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.691 HD21 ' CG ' ' B' ' 124' ' ' ASP . 0.0 OUTLIER -62.22 -40.88 97.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.1 mmt-85 -77.89 -40.37 40.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.231 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 23.4 mmtm -58.31 -43.28 88.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 37' ' ' ILE . 89.0 p -51.29 -37.82 49.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' C ' ' N ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -78.94 -18.5 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 10.2 t -47.06 -19.2 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.611 1.195 . . . . 0.0 110.021 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 1.168 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 91.0 m-85 -91.32 121.51 33.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 111.052 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.99 -145.57 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.313 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.272 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.551 1.816 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.3 51.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.867 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER -58.73 -20.49 16.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -60.81 -40.34 92.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.631 HD13 ' O ' ' B' ' 95' ' ' LEU . 2.1 tm? -68.61 -23.9 64.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' B' ' 145' ' ' LYS . 4.1 t80 -85.34 -43.77 13.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.768 HD23 HD11 ' B' ' 100' ' ' ILE . 64.9 mt -62.8 -27.63 69.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -70.25 -31.93 69.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.494 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 5.8 tt0 -77.97 -26.91 49.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.316 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.768 HD11 HD23 ' B' ' 97' ' ' LEU . 1.0 OUTLIER -96.09 -20.2 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 97' ' ' LEU . . . 80.45 67.26 1.57 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.713 ' SG ' HD11 ' B' ' 142' ' ' ILE . 91.3 m -142.31 44.64 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -60.76 -17.94 51.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -102.18 31.87 3.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 1.078 ' CD2' HG11 ' B' ' 133' ' ' VAL . 11.9 m-85 -129.14 1.87 5.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.453 ' O ' HG13 ' B' ' 110' ' ' ILE . 9.4 mp -67.45 -60.58 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.48 -18.06 10.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . 0.69 ' HB2' HD21 ' B' ' 131' ' ' LEU . 0.0 OUTLIER -94.4 -39.22 10.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.675 ' CD2' ' HB2' ' B' ' 114' ' ' LEU . 2.6 m-85 -73.52 -39.31 64.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.586 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 45.8 mt -61.31 -25.0 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -80.2 -43.87 20.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . 0.651 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 32.2 t -75.61 -29.04 59.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 108.326 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.651 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 4.2 m-20 95.01 49.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.868 HD22 HG22 ' B' ' 120' ' ' ILE . 85.2 mt -114.81 30.88 7.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.586 ' CG1' ' HA ' ' B' ' 110' ' ' ILE . 1.2 m -95.61 21.61 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 44.2 p -125.86 157.59 37.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 110.363 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.55 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 25.0 mt-10 -89.69 32.79 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' B' ' 121' ' ' LYS . 1.8 mp0 -143.32 -44.79 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.442 ' HA ' ' CE1' ' B' ' 122' ' ' TYR . 1.7 mt-10 -53.11 -44.16 67.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.868 HG22 HD22 ' B' ' 114' ' ' LEU . 0.6 OUTLIER -76.17 -18.91 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.498 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 21.8 ttpp -72.65 -17.38 61.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 0.714 ' CG ' ' O ' ' B' ' 122' ' ' TYR . 0.6 OUTLIER -134.34 37.52 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.92 HD11 HD22 ' B' ' 128' ' ' LEU . 0.0 OUTLIER -116.87 166.45 12.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.371 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . 0.691 ' CG ' HD21 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -113.29 -169.73 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 1.016 ' NZ ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -91.21 -38.6 12.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.318 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.612 ' HA ' ' CG1' ' B' ' 129' ' ' ILE . 2.4 t70 -55.96 -28.28 56.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.785 ' CG2' HD12 ' B' ' 123' ' ' LEU . 0.7 OUTLIER -72.32 -37.67 59.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.92 HD22 HD11 ' B' ' 123' ' ' LEU . 0.5 OUTLIER -68.46 -57.13 6.3 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.999 HD13 ' NH2' ' A' ' 56' ' ' ARG . 0.7 OUTLIER -50.89 -36.47 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.7 -27.06 55.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.919 ' C ' HD23 ' B' ' 131' ' ' LEU . 0.0 OUTLIER -62.19 -26.74 68.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.192 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . 0.827 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 129.96 17.38 1.66 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 1.078 HG11 ' CD2' ' B' ' 105' ' ' TYR . 31.6 m -122.09 71.66 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.804 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' B' ' 136' ' ' ILE . 15.5 t30 -71.62 -13.67 61.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' B' ' 139' ' ' ARG . 34.8 mttp -40.77 97.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.523 HD11 ' OD1' ' A' ' 51' ' ' ASN . 8.8 mt -68.03 128.96 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' B' ' 138' ' ' ASP . . . 122.71 -98.89 0.63 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.546 ' O ' ' CG ' ' B' ' 141' ' ' LYS . 12.4 t70 -37.56 -35.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . 0.744 HH21 ' HB ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -48.39 -31.66 6.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.259 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . 1.015 HD11 HD12 ' A' ' 44' ' ' ILE . 7.2 tt -68.25 -35.0 77.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . 0.672 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -61.95 -42.37 99.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.744 ' HB ' HH21 ' B' ' 139' ' ' ARG . 9.6 mt -64.75 -35.22 74.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.844 HD13 ' C ' ' B' ' 143' ' ' LEU . 0.3 OUTLIER -64.71 -34.74 79.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' ARG . . . . . 0.407 ' N ' HD13 ' B' ' 143' ' ' LEU . 0.3 OUTLIER -81.15 -49.58 10.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' B' ' 148' ' ' SER . 10.2 mttp -63.68 -33.01 74.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' B' ' 142' ' ' ILE . 4.4 m -52.86 -32.75 46.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.476 ' C ' ' N ' ' B' ' 149' ' ' PHE . 3.8 ptpt -80.09 -15.94 56.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 67.8 m -43.13 -21.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.048 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' PHE . . . . . 0.752 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 87.2 m-85 -90.67 133.61 35.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' B' ' 151' ' ' ARG . 6.0 pt20 -119.75 -148.69 0.42 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' ARG . . . . . 0.424 ' N ' ' HG3' ' B' ' 150' ' ' GLN . 2.0 ptt-85 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 88.4 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -145.75 48.46 1.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.638 HG11 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -59.04 -21.43 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.93 -36.91 84.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tt -70.09 -37.83 75.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 10.8 t80 -76.83 -40.21 48.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.806 ' CD2' HD11 ' A' ' 17' ' ' ILE . 7.4 mt -65.51 -37.26 86.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -66.57 -24.87 66.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -81.24 -28.99 34.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.355 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.806 HD11 ' CD2' ' A' ' 14' ' ' LEU . 5.7 pt -97.1 -10.73 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 14' ' ' LEU . . . 83.29 67.63 1.46 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.423 1.077 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.986 ' SG ' HD11 ' A' ' 59' ' ' ILE . 56.1 m -143.97 38.95 1.33 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 t -59.7 -20.24 55.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.408 1.068 . . . . 0.0 110.443 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.616 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 18.5 pm0 -101.03 30.92 3.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 1.03 ' CD2' HG11 ' A' ' 50' ' ' VAL . 6.5 m-85 -127.44 3.12 6.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 mt -56.79 -68.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -63.63 -18.7 64.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.686 ' HB3' HD21 ' A' ' 48' ' ' LEU . 3.8 m -78.86 -52.32 8.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.073 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.763 ' CD2' HD11 ' A' ' 14' ' ' LEU . 2.4 m-85 -68.26 -38.72 82.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.703 ' HA ' HG12 ' A' ' 32' ' ' VAL . 33.1 mt -65.17 -23.53 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -72.89 -54.49 8.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.245 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.614 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 32.1 t -67.73 -59.49 3.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 108.289 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 11.3 p30 146.18 40.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.638 ' O ' HG11 ' A' ' 10' ' ' VAL . 1.4 mm? -112.64 51.14 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.703 HG12 ' HA ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -111.12 11.34 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.517 HG22 ' H ' ' A' ' 34' ' ' GLU . 3.8 m -126.29 178.37 5.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.482 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.525 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 28.1 mt-10 -105.54 43.05 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.4 -46.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.95 -42.27 65.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.292 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.853 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.8 OUTLIER -73.42 -18.07 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HB2' ' HB2' ' A' ' 66' ' ' PHE . 21.8 ttpp -75.49 -17.41 60.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -130.99 44.49 2.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.848 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -121.0 169.82 10.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.206 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.769 ' OD1' HD21 ' B' ' 143' ' ' LEU . 51.6 m-20 -121.29 161.0 22.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.644 ' HG2' ' CG ' ' B' ' 125' ' ' LYS . 2.5 tttt -65.0 -41.25 95.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.633 ' CB ' ' HB3' ' B' ' 140' ' ' LEU . 2.7 t70 -62.18 -23.53 66.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.579 HD12 HD22 ' B' ' 140' ' ' LEU . 0.4 OUTLIER -75.53 -35.05 31.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.699 ' O ' HG22 ' A' ' 50' ' ' VAL . 1.4 mt -77.44 -51.03 11.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.664 HD12 ' NH1' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -48.81 -38.63 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.428 1.08 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.11 -26.5 53.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.348 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.871 HD23 ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -59.53 -26.92 65.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.825 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 129.66 19.49 1.47 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.03 HG11 ' CD2' ' A' ' 22' ' ' TYR . 27.7 m -122.16 74.46 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.532 ' O ' ' C ' ' A' ' 52' ' ' LYS . 3.0 m-80 -69.2 -14.78 63.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -30.44 96.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.672 ' HA ' HH21 ' A' ' 56' ' ' ARG . 2.0 mt -72.89 120.99 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 119.13 -93.24 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 54' ' ' GLY . 18.0 t0 -34.98 -31.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.672 HH21 ' HA ' ' A' ' 53' ' ' ILE . 23.8 mtm180 -45.87 -33.86 3.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.825 HD13 ' C ' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -63.02 -43.67 98.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.618 1.199 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -54.44 -51.94 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.986 HD11 ' SG ' ' A' ' 19' ' ' CYS . 4.5 mt -55.05 -29.84 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -67.01 -42.59 84.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -75.46 -49.2 19.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 65' ' ' SER . 23.8 mmtm -58.42 -37.38 75.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 2.6 m -53.32 -37.54 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.464 ' C ' ' N ' ' A' ' 66' ' ' PHE . 2.5 mtmp? -78.01 -17.7 56.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 13.7 t -45.24 -19.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.853 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 97.0 m-85 -92.71 141.45 28.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 68' ' ' ARG . 2.3 pt20 -121.44 -147.9 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.402 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.242 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 73.53 4.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.771 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.41 52.1 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.175 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.627 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.4 OUTLIER -58.39 -19.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.375 1.047 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -42.21 97.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.552 ' C ' HD23 ' B' ' 95' ' ' LEU . 0.9 OUTLIER -64.93 -24.52 67.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . 0.507 ' HD2' HG22 ' B' ' 93' ' ' VAL . 2.3 t80 -85.35 -40.1 16.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.811 HD23 HD11 ' B' ' 100' ' ' ILE . 95.7 mt -61.99 -26.67 68.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -64.38 -33.83 76.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 47.5 tt0 -79.79 -33.92 40.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.811 HD11 HD23 ' B' ' 97' ' ' LEU . 4.9 pt -97.33 25.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' B' ' 100' ' ' ILE . . . 32.38 79.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.128 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.556 ' HB3' ' CG ' ' B' ' 105' ' ' TYR . 31.1 m -139.72 38.4 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 7.5 m -58.69 -20.99 53.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.367 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . 0.589 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 4.6 pm0 -100.95 32.0 3.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.623 ' O ' ' N ' ' B' ' 109' ' ' PHE . 9.1 m-85 -128.42 0.93 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.49 ' N ' HD23 ' B' ' 106' ' ' LEU . 5.5 mt -53.52 -70.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.5 -16.35 62.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . 0.621 ' HB3' HD21 ' B' ' 131' ' ' LEU . 1.9 m -81.44 -39.72 24.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.687 ' CD1' HD11 ' B' ' 131' ' ' LEU . 2.6 m-85 -85.24 -35.45 21.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.433 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 37.4 mt -64.13 -25.78 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -82.72 -49.91 9.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.157 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . 0.657 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 52.0 t -69.03 -30.78 69.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 108.303 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.657 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 3.4 m-20 96.03 43.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.181 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.639 ' HB2' ' CD2' ' B' ' 109' ' ' PHE . 34.6 mt -103.88 16.06 27.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.744 HG22 ' O ' ' B' ' 115' ' ' VAL . 1.9 p -106.96 50.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . 0.48 ' O ' ' N ' ' B' ' 118' ' ' GLU . 17.3 p -138.36 18.8 2.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.45 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.543 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 14.7 mt-10 34.6 34.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.536 ' O ' ' CG ' ' B' ' 121' ' ' LYS . 18.0 tp10 -150.35 -45.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -57.59 -38.12 74.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.308 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.81 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 0.5 OUTLIER -70.47 -26.2 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.602 ' CB ' ' HB2' ' B' ' 149' ' ' PHE . 0.0 OUTLIER -72.54 -15.22 61.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.31 33.68 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.808 HD22 ' O ' ' B' ' 120' ' ' ILE . 0.2 OUTLIER -122.5 179.86 4.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . 0.494 ' HB3' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -121.07 -161.59 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.918 ' HB3' HD13 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -93.74 -35.48 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.667 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 32.9 t0 -65.99 -29.14 69.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.635 HG21 HD12 ' B' ' 123' ' ' LEU . 1.2 mp -58.52 -33.1 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.531 ' HA ' ' HB3' ' B' ' 131' ' ' LEU . 3.3 mm? -70.98 -48.27 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.559 HG12 ' CZ ' ' B' ' 139' ' ' ARG . 0.2 OUTLIER -50.93 -41.04 21.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.23 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.57 -30.01 59.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.886 HD22 HG23 ' B' ' 133' ' ' VAL . 0.1 OUTLIER -61.5 -28.92 69.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . 0.646 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 127.78 42.08 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.886 HG23 HD22 ' B' ' 131' ' ' LEU . 59.2 t -121.65 88.59 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . 0.414 ' C ' HH21 ' B' ' 139' ' ' ARG . 52.4 t-20 -81.28 -17.84 47.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.487 ' C ' HH21 ' B' ' 139' ' ' ARG . 7.1 ptpp? -67.48 98.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.593 HD12 HD13 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -68.61 138.11 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . 0.464 ' O ' ' OD1' ' A' ' 43' ' ' ASP . . . 118.65 -98.42 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' B' ' 137' ' ' GLY . 4.6 m-20 -37.73 -33.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . 0.626 HH11 ' NZ ' ' B' ' 125' ' ' LYS . 19.9 ttm180 -47.02 -32.04 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . 0.674 HD13 ' OD2' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -75.38 -37.78 60.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . 0.578 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -52.58 -42.63 64.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.578 ' N ' ' HG3' ' B' ' 141' ' ' LYS . 96.5 mt -63.43 -43.42 98.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.918 HD13 ' HB3' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -58.07 -28.63 64.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -53.99 6.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' LYS . . . . . 0.696 ' HD3' HG22 ' B' ' 100' ' ' ILE . 0.4 OUTLIER -65.53 -28.82 69.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' B' ' 123' ' ' LEU . 88.2 p -51.54 -32.72 29.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.462 ' C ' ' N ' ' B' ' 149' ' ' PHE . 6.7 mtmt -78.73 -17.21 56.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 68.4 m -45.82 -20.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.016 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' PHE . . . . . 0.81 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 78.8 m-85 -92.47 125.7 37.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -117.11 -144.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.467 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 7' ' ' LEU . 18.4 Cg_endo -75.05 137.68 21.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.051 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.64 54.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.856 HG12 HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -58.19 -19.95 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -61.62 -39.79 92.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.412 ' C ' HD23 ' A' ' 12' ' ' LEU . 6.8 tt -68.06 -34.38 76.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.618 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 3.6 t80 -80.4 -36.58 33.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.824 HD11 ' CD2' ' A' ' 26' ' ' PHE . 20.1 mt -70.5 -24.82 62.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -68.13 -39.72 82.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.667 ' HG2' HG23 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -76.38 -31.62 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.667 HG23 ' HG2' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -97.53 26.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' ILE . . . 35.58 88.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.115 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.575 ' SG ' ' CG ' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -141.58 33.94 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.9 m -57.57 -37.55 73.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.434 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.401 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 6.7 pm0 -96.85 29.86 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CG ' ' SG ' ' A' ' 19' ' ' CYS . 36.5 m-85 -128.53 -0.24 5.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 27' ' ' ILE . 9.6 mp -66.86 -62.61 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.49 -18.23 38.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.699 ' HB3' HD21 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -88.69 -40.62 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.824 ' CD2' HD11 ' A' ' 14' ' ' LEU . 2.7 m-85 -72.5 -39.5 67.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.779 HG12 HG21 ' A' ' 32' ' ' VAL . 14.1 mt -65.22 -24.55 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -71.75 -50.67 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.657 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 35.0 t -81.13 -28.58 35.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.254 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.657 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 12.5 m-20 96.48 64.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.681 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 1.1 mm? -117.26 20.8 13.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.856 HG13 HG12 ' A' ' 10' ' ' VAL . 1.1 t -108.96 48.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.597 1.186 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 35' ' ' GLU . 3.8 m -136.34 17.36 3.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 0.0 110.396 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.566 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 20.2 mt-10 34.89 33.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 18.1 tt0 -147.9 -45.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HB3' HD13 ' A' ' 31' ' ' LEU . 3.4 tp10 -59.98 -39.8 86.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.297 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.876 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -68.79 -18.89 23.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.621 ' CB ' ' HB2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -83.97 -14.4 50.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.85 43.86 3.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.729 HD22 ' HA ' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -134.58 171.8 13.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.465 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -98.75 -173.06 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.388 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.603 ' CG ' ' CG ' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -92.78 -40.96 10.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.527 ' O ' HG13 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -62.66 -19.16 63.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.658 HG21 HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -67.16 -34.32 68.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.367 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.511 ' HA ' ' HB3' ' A' ' 48' ' ' LEU . 2.9 mm? -71.89 -50.1 32.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.866 HD13 ' HB ' ' B' ' 136' ' ' ILE . 0.8 OUTLIER -53.26 -36.31 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.551 ' N ' HG13 ' A' ' 46' ' ' ILE . . . -80.34 -29.62 38.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.759 HD22 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -53.46 -28.16 28.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.732 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 135.65 38.9 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.759 HG23 HD22 ' A' ' 48' ' ' LEU . 6.6 t -123.69 91.53 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -81.47 -16.65 51.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -72.08 97.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.597 ' HB ' HD13 ' B' ' 129' ' ' ILE . 1.6 pt -71.0 118.27 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 145.43 -94.52 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 54' ' ' GLY . 7.0 m-20 -35.57 -33.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 0.788 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.762 ' NE ' HG22 ' A' ' 46' ' ' ILE . 3.4 mtp180 -48.66 -33.45 9.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.062 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -63.86 -40.86 97.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.568 ' HG3' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -56.75 -49.84 74.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.372 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.568 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 83.2 mt -60.85 -35.59 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.812 HD22 HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -56.23 -39.53 72.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -46.43 21.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.246 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.618 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 32.2 mmtt -60.43 -38.89 85.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 56.2 m -50.67 -37.49 41.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.443 ' C ' ' N ' ' A' ' 66' ' ' PHE . 3.0 mppt? -79.18 -19.09 51.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 11.0 t -48.88 -18.49 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.876 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 94.5 m-85 -93.14 121.37 34.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -103.32 -85.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.241 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 136.34 20.1 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . 0.638 ' HB3' HD23 ' B' ' 95' ' ' LEU . 0.1 OUTLIER -160.18 40.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.958 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER -58.17 -20.38 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -62.64 -40.79 98.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.638 HD23 ' HB3' ' B' ' 92' ' ' PHE . 0.4 OUTLIER -65.27 -23.83 67.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' B' ' 145' ' ' LYS . 12.8 t80 -84.63 -42.18 15.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.597 ' CD2' HD11 ' B' ' 100' ' ' ILE . 30.1 mt -63.88 -25.38 68.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 1.4 pp20? -64.28 -34.53 78.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 3.1 tt0 -80.33 -35.47 35.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.597 HD11 ' CD2' ' B' ' 97' ' ' LEU . 19.1 pt -97.06 22.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' B' ' 100' ' ' ILE . . . 30.33 81.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.412 1.07 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.828 ' SG ' HD11 ' B' ' 142' ' ' ILE . 32.7 m -137.32 43.49 2.32 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 54.9 m -59.54 -19.1 45.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . 0.586 ' HG2' ' CD1' ' B' ' 105' ' ' TYR . 1.7 pt20 -98.31 27.73 4.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.899 ' CE2' HG21 ' B' ' 133' ' ' VAL . 20.0 m-85 -129.0 2.06 5.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.46 -66.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -72.21 -15.56 61.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . 0.724 ' HB3' HD21 ' B' ' 131' ' ' LEU . 0.8 OUTLIER -78.93 -48.67 14.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.927 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 1.003 ' CE1' HD11 ' B' ' 128' ' ' LEU . 1.7 m-85 -70.33 -35.03 73.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.968 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.925 HG12 HG21 ' B' ' 115' ' ' VAL . 83.7 mt -64.96 -23.28 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -80.81 -48.41 12.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.567 1.167 . . . . 0.0 110.339 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . 0.632 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 12.8 t -76.9 -28.86 55.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.632 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 7.2 m-20 94.31 66.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.958 ' O ' HG21 ' B' ' 93' ' ' VAL . 2.3 mt -126.41 23.36 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.925 HG21 HG12 ' B' ' 110' ' ' ILE . 18.1 t -93.12 36.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.52 157.27 45.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.603 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 10.7 mp0 -89.0 32.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' B' ' 121' ' ' LYS . 0.3 OUTLIER -143.52 -47.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -41.93 93.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 1.235 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 1.7 pt -73.68 -18.1 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.506 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 5.4 tptt -75.26 -18.29 60.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 0.439 ' O ' ' CD2' ' B' ' 122' ' ' TYR . 76.0 t80 -128.85 45.06 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.625 HD22 HD22 ' B' ' 114' ' ' LEU . 0.0 OUTLIER -114.46 165.19 13.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . 0.561 ' CG ' HD21 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -121.83 -169.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.844 ' HE2' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -91.35 -36.83 13.62 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.638 1.211 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.699 ' CB ' ' HB2' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -62.35 -40.83 97.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.475 HD12 ' CD2' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -67.14 -33.69 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 1.003 HD11 ' CE1' ' B' ' 109' ' ' PHE . 6.3 tp -73.58 -55.04 6.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.648 HD12 ' N ' ' B' ' 130' ' ' ALA . 2.8 pp -54.28 -34.98 28.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . 0.648 ' N ' HD12 ' B' ' 129' ' ' ILE . . . -78.28 -26.11 46.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 1.02 HD22 HG23 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -60.67 -25.34 66.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . 0.735 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 143.45 -7.04 1.99 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 1.02 HG23 HD22 ' B' ' 131' ' ' LEU . 13.9 t -88.86 64.01 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -59.23 -16.66 22.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.814 ' O ' ' NH1' ' B' ' 139' ' ' ARG . 7.4 mttm -74.77 88.39 2.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.866 ' HB ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -60.69 141.63 16.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . 0.55 ' O ' ' N ' ' B' ' 140' ' ' LEU . . . 131.62 -92.58 0.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.646 ' HB3' HH21 ' B' ' 139' ' ' ARG . 0.2 OUTLIER -35.08 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . 0.814 ' NH1' ' O ' ' B' ' 135' ' ' LYS . 0.0 OUTLIER -51.33 -33.47 29.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' B' ' 137' ' ' GLY . 5.3 tp -62.62 -37.42 86.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . 0.449 ' HD3' HG22 ' B' ' 100' ' ' ILE . 0.0 OUTLIER -61.58 -52.06 65.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.954 HD12 HD21 ' B' ' 128' ' ' LEU . 1.3 mt -59.84 -25.98 34.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' B' ' 125' ' ' LYS . 1.3 mt -63.54 -41.45 98.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.631 1.207 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -78.19 -46.8 19.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' LYS . . . . . 0.568 ' HB3' ' CZ ' ' B' ' 96' ' ' PHE . 6.1 mmtp -63.71 -37.2 86.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' B' ' 142' ' ' ILE . 10.3 p -53.24 -31.06 41.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.888 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.47 ' C ' ' N ' ' B' ' 149' ' ' PHE . 1.0 OUTLIER -79.03 -17.72 54.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 8.9 t -46.63 -19.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.165 . . . . 0.0 109.966 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' PHE . . . . . 1.235 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 97.0 m-85 -92.17 169.72 10.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -59.8 1.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 86.0 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.427 1.751 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.75 39.87 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.053 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.859 HG12 HG13 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -58.65 -20.64 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -62.93 -39.63 95.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.717 ' C ' HD13 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -72.53 -33.98 67.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.629 ' CZ ' ' HB3' ' A' ' 62' ' ' LYS . 1.8 t80 -80.39 -39.37 28.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.162 HD11 ' CD2' ' A' ' 26' ' ' PHE . 10.8 mt -64.66 -40.0 94.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -72.61 -24.6 61.1 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 9.1 tt0 -77.5 -27.0 51.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.716 HD11 HD23 ' A' ' 14' ' ' LEU . 50.2 pt -96.8 -6.32 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.8 67.96 1.43 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.543 1.152 . . . . 0.0 111.075 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.913 ' SG ' HD11 ' A' ' 59' ' ' ILE . 97.5 m -147.87 34.59 0.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 m -57.9 -22.01 46.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.591 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 8.0 pm0 -102.28 34.18 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.591 ' CD1' ' HG2' ' A' ' 21' ' ' GLN . 10.0 m-85 -129.21 8.72 5.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.417 ' O ' HG13 ' A' ' 27' ' ' ILE . 16.0 mt -63.24 -66.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.58 -18.87 33.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.723 ' HB3' HD21 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -84.06 -44.4 14.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.948 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.162 ' CD2' HD11 ' A' ' 14' ' ' LEU . 2.4 m-85 -76.55 -34.99 58.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.741 HG12 HG21 ' A' ' 32' ' ' VAL . 36.2 mt -67.47 -25.3 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -71.91 -51.26 23.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.654 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 34.6 t -79.54 -30.3 41.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 108.32 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.654 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 1.6 t30 97.24 63.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.867 HD11 HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -115.63 19.68 15.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.859 HG13 HG12 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -107.11 45.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 34' ' ' GLU . 38.3 p -132.17 16.13 4.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.585 1.178 . . . . 0.0 110.357 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.629 ' HG2' HG23 ' A' ' 10' ' ' VAL . 25.0 mt-10 33.42 40.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' CB ' ' HE2' ' A' ' 38' ' ' LYS . 10.0 mt-10 -157.19 -45.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 3.9 mm-40 -60.1 -38.99 84.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.403 1.064 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.85 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -64.24 -25.35 37.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.524 ' CB ' ' HB2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -83.79 -13.33 54.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -118.54 42.23 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.166 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.867 HD23 HD11 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -147.96 -168.15 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.225 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.525 ' HB2' HD12 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -119.26 177.26 4.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.66 ' HZ3' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -89.38 -35.77 15.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.256 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.79 ' O ' HG22 ' A' ' 46' ' ' ILE . 5.4 t70 -64.48 -17.81 64.2 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.683 HD11 HD11 ' B' ' 140' ' ' LEU . 0.2 OUTLIER -73.5 -36.71 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.827 HD23 HD13 ' A' ' 48' ' ' LEU . 1.7 mt -64.1 -41.57 97.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.79 HG22 ' O ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -48.59 -37.13 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.49 -30.75 42.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.029 HD22 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -54.7 -27.1 38.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.723 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 138.56 4.54 1.63 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.029 HG23 HD22 ' A' ' 48' ' ' LEU . 3.0 t -86.73 77.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -78.98 -17.48 55.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -69.76 98.25 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.511 HG22 HH22 ' A' ' 56' ' ' ARG . 2.1 pt -68.7 129.88 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 129.73 -95.17 0.35 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' GLY . 1.8 m-20 -35.78 -31.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.585 0.815 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 54' ' ' GLY . 4.0 mtm-85 -47.84 -33.54 7.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 57' ' ' LEU . 6.0 tt -63.62 -36.12 82.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -61.56 -53.47 55.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.913 HD11 ' SG ' ' A' ' 19' ' ' CYS . 21.8 mt -57.57 -29.39 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.579 ' HB2' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -61.84 -42.01 98.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.419 ' CZ ' HD21 ' A' ' 57' ' ' LEU . 23.9 mmt85 -76.97 -41.56 42.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.629 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 70.5 mmtt -61.53 -41.24 97.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.237 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.455 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 50.8 m -52.12 -34.76 45.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.042 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 60' ' ' LEU . 23.6 mttt -81.31 -17.52 48.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 18.4 t -53.74 -16.47 1.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.85 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 97.3 m-85 -92.0 -179.97 5.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.413 ' C ' ' HD2' ' A' ' 38' ' ' LYS . 9.2 mt-30 -64.67 -169.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.474 ' O ' ' CE2' ' B' ' 92' ' ' PHE . 1.6 tp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.56 29.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.536 1.808 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . 0.551 ' CD1' ' N ' ' B' ' 92' ' ' PHE . 0.1 OUTLIER -152.91 -169.04 3.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.971 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.5 OUTLIER -57.84 -23.66 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' B' ' 92' ' ' PHE . 0.0 OUTLIER -62.96 -41.1 99.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.527 ' O ' HD12 ' B' ' 95' ' ' LEU . 0.2 OUTLIER -65.54 -24.77 67.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . 0.736 ' O ' HG23 ' B' ' 100' ' ' ILE . 6.7 t80 -86.59 -43.36 12.74 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.135 . . . . 0.0 111.065 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.854 HD21 ' CE2' ' B' ' 109' ' ' PHE . 97.0 mt -61.98 -24.92 67.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.4 OUTLIER -71.75 -31.44 66.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.363 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 1.8 tp10 -81.19 -26.09 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.736 HG23 ' O ' ' B' ' 96' ' ' PHE . 0.4 OUTLIER -96.52 -20.15 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 97' ' ' LEU . . . 80.3 66.89 1.61 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.841 ' SG ' HD11 ' B' ' 142' ' ' ILE . 32.4 m -140.27 45.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.403 ' O ' HD23 ' B' ' 106' ' ' LEU . 47.3 m -60.28 -18.52 49.76 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . 0.479 ' HG2' ' CD1' ' B' ' 105' ' ' TYR . 0.9 OUTLIER -101.55 30.86 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.885 ' CE2' HG11 ' B' ' 133' ' ' VAL . 24.3 m-85 -129.01 2.96 5.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.405 HD11 ' CB ' ' B' ' 94' ' ' GLN . 4.5 mm? -62.19 -65.19 0.73 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.37 -19.18 61.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . 0.732 ' HB3' HD21 ' B' ' 131' ' ' LEU . 0.3 OUTLIER -85.99 -34.82 20.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.022 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.854 ' CE2' HD21 ' B' ' 97' ' ' LEU . 2.3 m-85 -81.65 -27.7 33.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.647 ' HA ' ' CG1' ' B' ' 115' ' ' VAL . 89.7 mt -71.01 -26.37 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . 0.541 ' CG ' ' O ' ' B' ' 108' ' ' SER . 6.5 pt20 -82.16 -37.0 26.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . 0.882 ' HB3' HD22 ' B' ' 114' ' ' LEU . 17.2 t -81.45 -29.34 33.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 108.275 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.691 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 18.0 m-20 99.16 42.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.971 ' O ' HG21 ' B' ' 93' ' ' VAL . 0.2 OUTLIER -108.43 35.58 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.647 ' CG1' ' HA ' ' B' ' 110' ' ' ILE . 0.8 OUTLIER -98.39 21.17 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . 0.668 HG23 ' H ' ' B' ' 119' ' ' GLU . 3.2 t -135.96 172.32 13.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.519 ' HB3' ' CE2' ' B' ' 149' ' ' PHE . 23.4 mt-10 -100.51 39.11 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -144.62 -48.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.668 ' H ' HG23 ' B' ' 116' ' ' THR . 0.6 OUTLIER -59.69 -40.27 87.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 1.272 HD11 ' CZ ' ' B' ' 149' ' ' PHE . 1.7 pt -72.46 -18.36 18.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.495 ' HB2' ' HB2' ' B' ' 149' ' ' PHE . 10.5 ttpt -76.94 -22.43 53.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.64 42.36 2.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.822 HD22 ' O ' ' B' ' 120' ' ' ILE . 0.2 OUTLIER -119.04 158.59 25.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . 0.773 ' O ' HD22 ' B' ' 128' ' ' LEU . 0.0 OUTLIER -120.95 -176.74 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.619 ' HB3' ' CG ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -73.0 -35.24 66.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.596 ' CB ' ' HB2' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -63.51 -33.48 75.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.625 HG21 ' HB2' ' B' ' 123' ' ' LEU . 0.4 OUTLIER -67.06 -35.57 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.988 ' O ' HG22 ' B' ' 133' ' ' VAL . 0.7 OUTLIER -74.03 -53.21 10.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.462 HG22 ' O ' ' B' ' 126' ' ' ASP . 2.4 tt -54.19 -39.37 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.91 -28.72 35.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.946 ' CD2' HG13 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -57.24 -27.71 62.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . 0.675 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 140.11 -11.07 3.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.107 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.988 HG22 ' O ' ' B' ' 128' ' ' LEU . 14.4 m -88.93 65.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . 0.405 ' HA ' HG12 ' B' ' 129' ' ' ILE . 12.8 p30 -55.66 -16.19 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.526 ' O ' ' NH2' ' B' ' 139' ' ' ARG . 0.1 OUTLIER -64.95 96.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.675 HD12 HD12 ' A' ' 46' ' ' ILE . 13.1 pt -68.37 145.09 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . 0.549 ' O ' ' N ' ' B' ' 139' ' ' ARG . . . 121.54 -90.01 0.44 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.462 1.101 . . . . 0.0 111.081 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' B' ' 137' ' ' GLY . 0.2 OUTLIER -34.52 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 0.772 . . . . 0.0 109.282 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' B' ' 137' ' ' GLY . 0.0 OUTLIER -46.12 -35.7 5.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . 0.864 ' O ' HD23 ' B' ' 140' ' ' LEU . 2.8 tt -65.33 -37.64 87.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . 0.613 ' HG3' ' N ' ' B' ' 142' ' ' ILE . 0.0 OUTLIER -61.64 -51.09 69.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.176 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.841 HD11 ' SG ' ' B' ' 102' ' ' CYS . 38.3 mt -65.5 -17.72 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' B' ' 125' ' ' LYS . 0.2 OUTLIER -69.02 -39.84 79.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -77.19 -47.24 20.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 110.25 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' LYS . . . . . 0.623 ' HD2' HG22 ' B' ' 100' ' ' ILE . 5.3 mmtt -61.76 -40.5 95.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' B' ' 143' ' ' LEU . 17.9 p -52.9 -31.0 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.396 1.06 . . . . 0.0 110.05 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.457 ' C ' ' N ' ' B' ' 149' ' ' PHE . 0.0 OUTLIER -79.18 -18.72 52.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 50.1 m -44.28 -23.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 0.0 109.965 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' PHE . . . . . 1.272 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 68.7 m-85 -93.56 126.11 38.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -104.9 -25.71 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.377 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.454 ' CB ' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.541 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 18.1 Cg_endo -75.0 117.47 4.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.406 1.74 . . . . 0.0 110.974 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.541 ' CD1' ' O ' ' A' ' 8' ' ' PRO . 25.6 m-85 -146.68 87.36 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.846 HG21 ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -58.39 -19.65 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -62.4 -40.05 95.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 12' ' ' LEU . 6.2 tt -71.11 -36.06 72.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.812 ' O ' HG23 ' A' ' 17' ' ' ILE . 64.1 t80 -77.03 -42.39 38.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.073 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.992 HD11 ' CD2' ' A' ' 26' ' ' PHE . 11.6 mt -68.55 -25.05 64.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -77.78 -39.17 44.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 13' ' ' PHE . 2.2 pt-20 -69.85 -23.65 63.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.209 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.812 HG23 ' O ' ' A' ' 13' ' ' PHE . 5.8 pt -96.15 -15.79 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.89 70.41 1.35 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 1.036 ' SG ' HD11 ' A' ' 59' ' ' ILE . 18.6 m -147.86 35.62 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -54.65 -21.28 10.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.529 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -101.23 34.73 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.612 ' CG ' ' HB3' ' A' ' 19' ' ' CYS . 8.2 m-85 -129.74 3.73 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.7 mt -60.98 -63.92 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.92 -18.58 57.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.704 ' HB3' HD21 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -86.37 -35.85 19.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.992 ' CD2' HD11 ' A' ' 14' ' ' LEU . 3.5 m-85 -84.18 -29.84 26.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.561 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 41.7 mt -70.51 -25.81 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.549 ' CG ' ' O ' ' A' ' 25' ' ' SER . 9.2 pt20 -79.79 -39.26 31.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 1.07 . . . . 0.0 110.366 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.673 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 48.3 t -80.48 -31.55 37.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 108.318 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.673 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 50.4 t30 98.42 49.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.228 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.847 HD11 HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -116.11 33.25 5.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 0.0 109.279 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER -95.57 21.31 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.363 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.778 HG23 ' H ' ' A' ' 36' ' ' GLU . 2.3 t -134.95 166.22 23.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.527 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 23.8 mt-10 -95.17 36.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 3.7 tt0 -143.22 -48.5 0.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.778 ' H ' HG23 ' A' ' 33' ' ' THR . 55.8 mm-40 -55.15 -39.97 70.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.365 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -71.05 -29.59 37.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 2.9 ptpt -81.6 -11.98 58.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -117.91 35.91 4.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.847 HD13 HD11 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -141.63 -175.88 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.91 ' HB3' HD21 ' B' ' 143' ' ' LEU . 0.0 OUTLIER -114.51 -169.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.56 ' CG ' ' HB3' ' B' ' 125' ' ' LYS . 0.0 OUTLIER -97.84 -30.38 12.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.613 ' CG ' ' HA ' ' B' ' 140' ' ' LEU . 2.4 m-20 -62.84 -32.31 73.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.575 ' CD1' ' CD1' ' B' ' 140' ' ' LEU . 1.1 mp -64.6 -32.47 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.905 HD13 HD13 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.34 -44.09 97.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.645 HD11 ' CD1' ' B' ' 136' ' ' ILE . 0.1 OUTLIER -64.08 -34.07 66.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.428 ' HB2' HH21 ' B' ' 139' ' ' ARG . . . -79.05 -28.54 43.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.23 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.043 HD22 HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -54.14 -25.56 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.22 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.768 ' N ' HD23 ' A' ' 48' ' ' LEU . . . 140.76 2.79 1.39 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.043 HG23 HD22 ' A' ' 48' ' ' LEU . 21.8 t -89.32 89.85 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -83.08 -15.7 49.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.51 98.93 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.406 1.066 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.42 ' H ' HG23 ' A' ' 53' ' ' ILE . 1.3 pt -67.64 140.67 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 56' ' ' ARG . . . 123.82 -96.3 0.53 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 58' ' ' LYS . 47.8 t0 -36.77 -30.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.527 ' HB3' ' HZ1' ' A' ' 42' ' ' LYS . 2.3 mtp180 -47.99 -34.4 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.969 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -68.48 -32.87 73.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.8 OUTLIER -60.73 -50.54 73.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.036 HD11 ' SG ' ' A' ' 19' ' ' CYS . 52.5 mt -63.73 -28.5 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.606 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -53.51 -40.92 65.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -76.61 -35.96 57.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.667 ' CG ' HG21 ' A' ' 17' ' ' ILE . 6.0 mptt -58.3 -50.21 74.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.504 ' HB2' ' O ' ' A' ' 37' ' ' ILE . 54.1 p -52.54 -31.67 36.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 66' ' ' PHE . 10.7 mttp -78.73 -24.25 44.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.593 1.183 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 46.0 m -49.08 -20.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.957 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.911 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 93.5 m-85 -95.55 166.76 11.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -61.03 -138.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.371 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.447 HD23 HD21 ' B' ' 95' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . 0.993 ' CD ' HD13 ' B' ' 95' ' ' LEU . 18.0 Cg_endo -75.02 -64.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.553 1.817 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' B' ' 94' ' ' GLN . 0.0 OUTLIER -158.48 -175.8 5.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.943 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.932 HG21 ' O ' ' B' ' 114' ' ' LEU . 0.4 OUTLIER -58.81 -21.58 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . 0.565 ' HB3' ' CD1' ' B' ' 92' ' ' PHE . 18.6 tm0? -62.69 -37.67 87.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.993 HD13 ' CD ' ' B' ' 91' ' ' PRO . 0.0 OUTLIER -68.42 -28.94 67.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' PHE . . . . . 0.651 ' HE2' HD12 ' B' ' 120' ' ' ILE . 1.3 t80 -86.47 -45.35 11.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.936 HD21 ' CD2' ' B' ' 109' ' ' PHE . 4.5 mp -60.83 -28.74 69.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -68.96 -33.39 73.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' B' ' 98' ' ' GLU . 1.2 tp10 -69.77 -31.24 69.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.7 HD12 HG12 ' B' ' 142' ' ' ILE . 5.7 pt -96.4 -13.43 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.07 67.84 1.45 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' CYS . . . . . 0.867 ' SG ' HD11 ' B' ' 142' ' ' ILE . 56.7 m -138.05 40.24 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 27.8 m -59.46 -23.41 62.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.386 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . 0.648 ' HG2' ' CE1' ' B' ' 105' ' ' TYR . 19.9 pm0 -101.19 33.05 3.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.648 ' CE1' ' HG2' ' B' ' 104' ' ' GLN . 3.3 m-85 -128.17 1.13 5.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.548 ' C ' HD12 ' B' ' 110' ' ' ILE . 1.9 mp -56.58 -68.32 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.23 -18.32 60.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.8 m -83.02 -39.83 20.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.06 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.936 ' CD2' HD21 ' B' ' 97' ' ' LEU . 2.3 m-85 -77.72 -40.85 39.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.548 HD12 ' C ' ' B' ' 106' ' ' LEU . 4.3 mt -64.01 -23.56 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -73.83 -51.2 17.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . 0.716 ' O ' ' CB ' ' B' ' 113' ' ' ASN . 7.9 t -76.41 -27.64 56.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 108.225 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.716 ' CB ' ' O ' ' B' ' 112' ' ' CYS . 21.2 m-20 103.75 53.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.932 ' O ' HG21 ' B' ' 93' ' ' VAL . 0.8 OUTLIER -116.48 21.83 13.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.376 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.804 HG22 ' O ' ' B' ' 115' ' ' VAL . 1.8 p -93.94 38.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 3.2 p -150.85 155.77 39.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 0.0 110.389 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.485 ' HA ' ' CE2' ' B' ' 149' ' ' PHE . 6.4 mp0 -89.14 39.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.502 ' HA ' ' HB3' ' B' ' 121' ' ' LYS . 1.9 tt0 -147.08 -46.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.329 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' B' ' 113' ' ' ASN . 0.1 OUTLIER -56.97 -48.09 79.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 110.374 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.933 ' HA ' HD22 ' B' ' 123' ' ' LEU . 3.6 pt -75.47 -13.04 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.56 ' HB2' ' CB ' ' B' ' 149' ' ' PHE . 0.1 OUTLIER -76.99 -18.18 58.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -135.66 41.63 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.955 HD12 ' CG2' ' B' ' 127' ' ' ILE . 0.0 OUTLIER -119.22 159.28 24.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . 0.527 ' HB3' HD13 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -100.71 -173.43 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' LYS . . . . . 0.581 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 0.3 OUTLIER -89.59 -35.81 15.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . 0.599 ' CB ' ' CB ' ' A' ' 57' ' ' LEU . 0.8 OUTLIER -66.41 -21.7 66.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.955 ' CG2' HD12 ' B' ' 123' ' ' LEU . 0.2 OUTLIER -76.81 -40.37 31.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.603 ' O ' HG12 ' B' ' 133' ' ' VAL . 3.6 pp -79.46 -44.94 20.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ILE . . . . . 0.525 ' CG2' ' HA ' ' B' ' 126' ' ' ASP . 0.0 OUTLIER -48.89 -37.28 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -77.74 -27.83 50.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.922 ' C ' HD23 ' B' ' 131' ' ' LEU . 0.0 OUTLIER -54.09 -27.74 34.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.357 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . 0.868 ' N ' HD23 ' B' ' 131' ' ' LEU . . . 132.43 21.83 0.91 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.565 1.165 . . . . 0.0 110.985 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.873 HG12 HD22 ' B' ' 131' ' ' LEU . 2.3 p -120.62 75.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' B' ' 136' ' ' ILE . 13.9 p-10 -84.39 -16.68 41.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -40.89 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.645 ' CD1' HD11 ' A' ' 46' ' ' ILE . 1.1 mp -60.47 129.25 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . 0.526 ' H ' ' CG ' ' B' ' 139' ' ' ARG . . . 118.26 -97.22 0.71 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.555 1.159 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' B' ' 141' ' ' LYS . 20.1 m-20 -38.22 -31.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . 0.551 ' C ' ' OD1' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -47.31 -34.26 6.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . 0.613 ' HA ' ' CG ' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -72.94 -34.31 66.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.393 1.058 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . 0.491 ' CD ' ' C ' ' B' ' 141' ' ' LYS . 0.0 OUTLIER -56.77 -53.14 61.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' ILE . . . . . 0.867 HD11 ' SG ' ' B' ' 102' ' ' CYS . 14.0 mt -58.01 -36.23 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.91 HD21 ' HB3' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -64.07 -36.95 85.67 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -80.02 -47.11 15.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.363 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' LYS . . . . . 0.559 ' HG3' HG22 ' B' ' 100' ' ' ILE . 1.2 mmtt -63.89 -35.64 81.32 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' B' ' 143' ' ' LEU . 3.1 p -52.3 -30.5 28.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.973 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' LYS . . . . . 0.476 ' C ' ' N ' ' B' ' 149' ' ' PHE . 6.6 mtpt -82.26 -15.49 52.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' B' ' 145' ' ' LYS . 71.5 m -44.69 -19.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.906 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' PHE . . . . . 0.713 ' CZ ' HD11 ' B' ' 120' ' ' ILE . 89.7 m-85 -89.99 146.62 24.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.49 -39.6 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.956 . . . . . . . . 0 0 . 1 stop_ save_