data_1h7d_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 1h7d _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 tt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.86 -26.37 4.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -43.04 69.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.0 t -73.34 -17.2 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.8 49.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.63 -54.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -55.09 -53.35 57.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -63.68 -31.35 72.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -56.33 -18.39 10.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -109.44 -34.12 6.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.3 mt -95.45 22.87 6.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.155 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.9 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -43.17 -37.25 3.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -42.95 73.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' LEU . 76.4 t -75.31 -15.84 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . -71.77 -62.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.34 -56.28 6.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.427 HG21 ' CD1' ' A' ' 32' ' ' LEU . 20.8 m -40.43 -58.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.77 -41.0 88.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -50.8 -21.93 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.86 -49.24 3.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.427 ' CD1' HG21 ' A' ' 28' ' ' THR . 1.0 OUTLIER -51.58 -31.49 24.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.3 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.15 -27.77 32.07 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -41.49 75.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.7 t -74.73 -9.35 12.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.27 45.72 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.06 -42.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.445 HG23 ' CD1' ' A' ' 32' ' ' LEU . 79.1 m -64.36 -46.15 84.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.4 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -63.79 -39.61 94.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -60.1 -14.86 18.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.76 -44.53 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' CD1' HG23 ' A' ' 28' ' ' THR . 0.0 OUTLIER -54.43 -23.38 15.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.45 -32.5 81.3 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -69.73 -15.13 63.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 t -108.05 -11.01 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.26 47.52 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.69 -41.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 m -64.55 -38.6 91.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -65.85 -31.03 71.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.58 21.75 3.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -122.39 -39.81 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.04 16.75 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.59 -30.74 77.57 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -73.32 -24.4 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.8 t -92.17 -15.98 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.76 -57.57 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.16 -28.61 18.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.7 m -68.77 -47.74 65.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -64.56 -40.76 96.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -17.62 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -109.28 -38.58 5.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -49.96 75.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.75 -18.87 40.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.576 1.172 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -72.18 -39.75 68.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.9 t -80.93 -19.5 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.75 -62.58 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -56.91 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m -44.75 -58.06 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -60.87 -42.77 98.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -50.57 -22.04 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -109.65 -43.89 3.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -38.33 69.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.74 -37.83 92.98 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 111.061 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -69.78 -15.91 63.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.8 t -100.47 -33.99 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.6 -60.65 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.31 -53.26 17.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -45.41 -59.6 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -61.88 -42.75 99.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -51.78 -21.32 2.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -109.66 -45.93 3.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -36.7 63.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.18 -51.11 0.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -19.78 61.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.76 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.0 t -90.56 -16.4 8.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.88 -56.56 5.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -51.79 -55.06 22.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -41.65 -60.52 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -57.48 -45.04 85.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -18.62 6.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -108.59 -19.76 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mp -103.03 19.65 19.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.68 -29.4 52.36 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -72.31 -35.04 68.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 0.793 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -80.49 -18.91 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.27 -60.13 2.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -53.36 -57.34 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -42.1 -58.9 1.94 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.375 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.58 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 5.0 m-85 -62.42 -37.17 84.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -74.1 -4.19 34.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -108.57 -29.75 8.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.13 24.53 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 29' ' ' TYR . 3.0 m-85 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.49 -31.04 62.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -41.55 72.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.32 -18.9 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.87 -57.17 3.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.77 -58.98 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.2 m -41.79 -59.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -58.19 -39.78 79.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -74.72 -2.92 28.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.88 -25.2 10.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.4 mt -101.45 24.83 9.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.65 -30.06 42.17 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -15.2 61.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -107.71 -32.24 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.51 51.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.21 -42.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.9 m -71.25 -44.72 64.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -66.18 -38.53 88.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -19.15 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.49 -43.99 3.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -17.86 19.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.4 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.475 ' CD2' ' C ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' N ' HD11 ' A' ' 22' ' ' LEU . . . -61.06 -24.37 62.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -74.85 -16.74 60.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.29 -16.27 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.52 -64.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' GLN . 18.6 pttt -50.22 -47.33 54.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.428 ' N ' ' CG ' ' A' ' 27' ' ' LYS . 6.7 t -44.14 -42.04 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -65.49 -35.77 81.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 27' ' ' LYS . 1.6 tt0 -98.85 22.22 10.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -118.46 -42.59 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.99 -24.34 65.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.7 -18.55 11.19 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.506 ' O ' ' CG2' ' A' ' 28' ' ' THR . 2.6 tttp -69.72 -8.26 46.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 0.735 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.461 ' CA ' ' OG1' ' A' ' 28' ' ' THR . 40.8 t -124.07 -41.75 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.47 -65.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -47.78 75.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 2.1 p -47.22 -33.69 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -80.56 -38.75 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -62.74 -13.16 29.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -109.08 -24.48 11.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.47 ' CD1' ' O ' ' A' ' 28' ' ' THR . 10.2 mt -93.36 19.79 7.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.977 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.445 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.409 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -62.54 -24.35 65.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -75.14 -36.78 61.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.9 t -82.48 -16.38 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.94 -50.12 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -57.15 -53.14 61.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -43.98 -30.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.54 -33.05 16.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -68.26 -8.36 38.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.24 -29.14 7.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.62 20.83 9.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.1 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.934 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.31 -23.45 70.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.05 -16.59 54.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.1 t -101.02 -15.85 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.45 -59.32 2.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' GLN . 17.6 mmtt -54.11 -55.04 31.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -41.83 -38.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.378 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -68.72 -41.32 79.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LYS . 7.5 tt0 -46.94 -24.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -109.68 -42.91 4.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -35.84 68.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.9 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.69 -22.64 47.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -40.78 64.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.8 t -77.81 -18.02 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.66 -59.6 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.26 -55.55 3.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.5 m -45.01 -56.61 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -63.91 -40.08 95.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -61.9 -13.88 28.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.63 -42.32 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -43.46 87.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.4 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 111.017 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.41 -31.06 13.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.105 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -71.24 -40.16 71.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 0.787 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -78.08 -22.2 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.17 -62.46 1.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.09 -57.67 4.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -42.88 -59.0 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -59.92 -29.57 68.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.18 18.8 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -123.8 -40.11 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -92.54 22.91 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 111.034 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 tt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.29 -60.6 0.66 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -24.44 61.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.8 t -86.66 -17.94 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.97 -37.29 9.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -71.44 -33.41 69.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -64.87 -19.59 65.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.66 ' CE1' ' CD1' ' A' ' 33' ' ' PHE . 29.6 t80 -95.0 -34.1 12.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -18.75 13.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -106.22 -37.32 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -17.66 58.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.66 ' CD1' ' CE1' ' A' ' 29' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.44 -26.02 69.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -27.95 62.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 0.774 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.5 t -79.81 -19.98 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.4 -60.9 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -51.29 -54.31 27.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 m -42.35 -60.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -63.36 -40.86 98.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -20.94 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.39 -51.62 2.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.19 -30.29 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.5 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.41 -17.46 18.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.413 1.071 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.472 ' O ' ' CG2' ' A' ' 28' ' ' THR . 2.1 tppt? -69.83 -44.62 69.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.3 t -77.39 -1.2 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.28 -67.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -53.67 -44.75 69.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.333 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 23.4 p -38.76 -46.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -65.63 -44.55 86.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' LYS . 2.9 mt-30 -53.37 -20.04 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -109.32 -22.75 11.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.56 17.66 14.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.988 179.977 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.74 -9.99 63.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.91 -16.17 39.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.1 t -106.5 -23.1 4.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.06 -63.22 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -53.69 24.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.5 m -42.54 -59.02 2.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -61.65 -42.24 98.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -50.03 -22.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -109.46 -41.23 4.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -37.76 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.5 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.97 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' VAL . 5.6 tt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.28 -27.68 1.85 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -44.62 63.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 22' ' ' LEU . 84.2 t -76.44 -16.01 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -100.08 52.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.55 -54.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.0 m -57.49 -49.73 75.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -68.51 -41.14 80.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -54.6 -19.13 5.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -109.83 -39.85 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -38.3 75.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.949 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . -59.43 -21.65 54.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.14 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -72.92 -22.37 60.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.38 -30.4 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.03 55.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.2 OUTLIER -178.35 -41.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.5 m -75.13 -39.68 60.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -67.29 -38.79 85.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -13.08 25.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.41 -48.82 3.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.2 -31.52 53.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.999 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 tt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.24 -59.76 0.53 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -29.11 66.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.2 t -80.5 -26.55 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -71.42 -63.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 -53.84 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -49.95 -44.26 50.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' ALA . 1.7 t80 -87.01 12.64 10.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.038 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -115.1 -6.8 12.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -107.62 -40.51 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.54 -28.96 68.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.31 -35.97 56.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -70.11 -36.89 75.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.766 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.4 t -79.09 -21.76 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.96 -59.17 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.26 -58.4 6.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.404 ' CG2' HD11 ' A' ' 32' ' ' LEU . 8.2 m -39.61 -61.46 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -63.32 -43.39 97.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -56.04 -19.33 12.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -108.93 -18.59 13.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD11 ' CG2' ' A' ' 28' ' ' THR . 76.8 mt -104.59 17.84 23.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 t80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 111.022 179.963 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 23' ' ' GLY . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . -81.42 -17.66 70.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.77 -14.83 59.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.8 t -112.84 -11.62 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.29 44.61 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -169.87 -42.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.459 ' CG2' HD13 ' A' ' 32' ' ' LEU . 43.5 m -64.56 -44.92 89.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -37.05 84.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.046 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -17.83 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -109.07 -26.11 10.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.459 HD13 ' CG2' ' A' ' 28' ' ' THR . 75.0 mt -99.75 24.01 8.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.1 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.98 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.06 -26.63 58.69 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.556 1.16 . . . . 0.0 111.023 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -73.15 -17.97 61.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 0.782 . . . . 0.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.84 -28.35 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -74.14 -56.78 4.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.56 -45.25 2.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.9 m -57.91 -48.16 80.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 26' ' ' ALA . 9.3 t80 -68.88 -33.77 74.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -61.97 -13.84 29.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.25 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -110.04 -43.23 4.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.4 mt -56.05 -39.82 72.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.986 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.85 -58.0 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -69.94 -16.84 63.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 t -89.76 -18.7 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.68 -44.3 9.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -61.73 -58.81 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 29' ' ' TYR . 3.9 t -39.53 -46.04 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.413 ' N ' ' CG2' ' A' ' 28' ' ' THR . 4.3 m-85 -63.91 -42.15 97.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -55.28 -18.82 6.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.49 -47.28 3.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -50.97 -33.2 23.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.8 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.2 tp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.29 -43.19 97.45 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.448 1.093 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -71.4 -16.76 62.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.8 t -96.94 -20.92 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . -70.93 -60.78 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -48.83 56.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.9 m -45.31 -58.05 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -63.18 -37.1 85.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -17.35 17.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.86 -31.99 7.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.7 23.2 7.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.997 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.93 -20.82 62.76 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -21.7 62.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.0 t -86.14 -22.55 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.15 -45.96 11.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' GLN . 11.1 mtmt -56.82 -50.46 72.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.6 t -46.2 -26.36 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.395 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -90.61 -32.37 16.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 27' ' ' LYS . 5.9 tm0? -67.69 -8.96 39.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -110.09 -39.82 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -16.42 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.522 0.201 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.5 t -128.95 88.97 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.8 107.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.01 61.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 51.78 75.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.2 ptm -152.15 48.23 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -167.36 60.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -173.79 101.18 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.8 ptt85 -176.08 46.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.28 32.87 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 43.57 73.39 0.95 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 108.306 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -54.69 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -166.96 -43.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 72.45 27.31 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t 75.71 -57.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -131.07 73.2 1.53 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.117 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.67 -65.32 1.51 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -171.45 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.429 1.752 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.7 m 62.6 31.58 16.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -120.0 68.91 0.38 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 72.98 88.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 0.814 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 tt -137.42 -61.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.86 -26.37 4.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -43.04 69.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.0 t -73.34 -17.2 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.8 49.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.63 -54.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -55.09 -53.35 57.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -63.68 -31.35 72.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -56.33 -18.39 10.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -109.44 -34.12 6.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.3 mt -95.45 22.87 6.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.155 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -71.59 -52.92 15.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -139.04 87.28 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.5 -96.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.46 -55.47 0.27 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -95.61 54.54 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.9 p -43.46 150.98 0.48 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.305 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 131.87 14.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.555 1.818 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.65 -31.13 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -71.2 -57.67 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 63.31 113.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.4 m 63.38 64.39 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.9 -24.04 10.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.81 -158.86 23.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.908 ' HG2' ' OXT' ' A' ' 49' ' ' SER . 18.4 Cg_endo -75.01 160.37 40.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -33.7 76.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.758 ' O ' ' OXT' ' A' ' 49' ' ' SER . 31.7 p -135.79 147.88 48.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 108.262 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.908 ' OXT' ' HG2' ' A' ' 46' ' ' PRO . 94.3 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 1.0 109.972 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.498 0.19 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.471 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 7.7 p -106.26 52.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 2' ' ' VAL . . . 82.17 133.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.11 72.69 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.07 -59.87 4.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.6 ttt 63.14 79.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 tp -145.59 63.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 53.61 62.73 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.77 59.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 m -152.62 -58.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.1 m -81.83 150.58 66.05 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.321 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -169.19 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 84.3 t -90.4 -15.35 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 1.3 tt 87.03 -48.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 3.9 t 80.31 -55.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -106.73 61.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.55 -76.29 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.22 14.89 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.9 p 40.2 86.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.05 57.93 0.41 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 47.15 79.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -61.62 -58.13 9.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -43.17 -37.25 3.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -42.95 73.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' LEU . 76.4 t -75.31 -15.84 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . -71.77 -62.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.34 -56.28 6.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.427 HG21 ' CD1' ' A' ' 32' ' ' LEU . 20.8 m -40.43 -58.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.77 -41.0 88.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -50.8 -21.93 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.86 -49.24 3.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.427 ' CD1' HG21 ' A' ' 28' ' ' THR . 1.0 OUTLIER -51.58 -31.49 24.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -44.88 -31.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.82 95.77 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.401 ' CG2' ' HA ' ' A' ' 32' ' ' LEU . 44.9 pt -105.47 -30.36 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.94 79.48 1.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.5 -27.42 10.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 0.746 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.52 149.77 0.37 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.325 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -66.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.467 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 13.8 mt 41.09 45.62 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER 83.17 -52.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 71.04 -62.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 t -177.59 51.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.371 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -160.56 39.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.43 -76.51 0.97 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 56.69 4.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 p 39.13 63.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.65 127.35 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 108.278 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 109.967 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.518 0.199 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 m -87.82 -155.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -167.0 123.31 1.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.19 73.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.5 -70.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.5 ' O ' ' CD1' ' A' ' 7' ' ' LEU . 7.4 ttm 47.94 57.79 5.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 6' ' ' MET . 0.3 OUTLIER 87.71 -45.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER 81.03 -54.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.02 -47.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.38 47.2 9.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.44 150.46 97.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 108.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -12.24 21.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.0 t 61.41 35.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.95 -40.58 91.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.2 p 49.4 91.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 73.66 86.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.93 -77.32 0.85 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -169.77 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.478 1.778 . . . . 0.0 111.058 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 p -139.29 -52.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.36 -54.18 0.65 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.541 1.15 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.39 71.81 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.747 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.58 -64.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.15 -27.77 32.07 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -41.49 75.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.7 t -74.73 -9.35 12.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.27 45.72 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.06 -42.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.445 HG23 ' CD1' ' A' ' 32' ' ' LEU . 79.1 m -64.36 -46.15 84.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.4 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -63.79 -39.61 94.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -60.1 -14.86 18.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.76 -44.53 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' CD1' HG23 ' A' ' 28' ' ' THR . 0.0 OUTLIER -54.43 -23.38 15.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.86 -44.96 12.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -85.38 63.27 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.8 pt -109.28 -31.16 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 153.13 -107.32 0.32 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 166.57 -30.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.98 87.85 5.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 108.266 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 81.94 2.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 pp -91.57 -32.12 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 pp -86.04 -38.75 17.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.85 64.0 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.7 t -170.84 57.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.45 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.52 -58.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.55 -171.88 28.8 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 134.36 17.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 t -64.18 132.85 51.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.424 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.38 125.23 32.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 108.286 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 1.0 109.956 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.504 0.193 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.0 t -103.57 70.57 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -160.55 76.39 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.89 66.24 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -178.9 95.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.8 38.7 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mt -85.47 -58.01 2.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mt 68.43 68.66 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -158.02 -44.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.08 44.46 29.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.023 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 47.06 90.64 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 108.233 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 83.09 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.1 p -91.11 -32.08 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 69.94 51.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 p 41.45 73.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 67.65 80.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.86 -67.25 1.18 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.07 120.81 6.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 3.1 m 79.18 -53.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.402 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 45.33 65.75 1.78 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.4 mt 42.33 73.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 tp -117.59 -59.25 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.45 -32.5 81.3 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -69.73 -15.13 63.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 t -108.05 -11.01 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.26 47.52 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.69 -41.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 m -64.55 -38.6 91.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -65.85 -31.03 71.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.58 21.75 3.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -122.39 -39.81 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.04 16.75 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -113.73 -49.81 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.487 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 31.9 p -81.86 61.83 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.487 ' CG2' ' O ' ' A' ' 34' ' ' SER . 1.2 pp -161.73 96.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.08 -78.18 0.24 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 165.79 -30.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.314 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.6 149.68 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.21 25.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -175.02 -40.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.62 -62.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.04 87.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.402 HG21 ' N ' ' A' ' 44' ' ' GLN . 5.1 t -70.0 -45.96 66.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.387 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' N ' HG21 ' A' ' 43' ' ' THR . 0.0 OUTLIER -114.27 -59.19 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.12 97.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 118.25 5.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 m -76.15 109.55 9.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.1 m 65.2 149.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.316 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 1.0 110.016 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.1 mmm . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.523 0.201 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 m -128.94 -156.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -158.83 -142.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.92 83.05 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.96 -60.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.36 60.06 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 65.05 87.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.6 55.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.88 38.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.54 48.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.35 150.44 97.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 108.273 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -65.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.435 1.755 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.7 t 60.79 34.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.24 16.41 10.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -76.26 57.13 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -158.74 26.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -95.52 -71.67 1.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -169.74 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 p -137.81 -55.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.83 88.5 0.72 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.406 HD12 ' CD ' ' A' ' 24' ' ' LYS . 16.1 mt -141.46 -71.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tt 78.73 -59.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.59 -30.74 77.57 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' CD ' HD12 ' A' ' 21' ' ' LEU . 23.7 tttp -73.32 -24.4 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.8 t -92.17 -15.98 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.76 -57.57 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.16 -28.61 18.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.7 m -68.77 -47.74 65.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -64.56 -40.76 96.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -17.62 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -109.28 -38.58 5.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -49.96 75.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -38.04 -49.23 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.3 m -140.81 83.12 1.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 36' ' ' GLY . 3.4 mt -64.45 -95.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.418 ' N ' HG23 ' A' ' 35' ' ' ILE . . . -135.5 156.22 22.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.23 -27.51 8.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.5 m 65.7 150.66 0.12 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 108.313 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LEU . 18.4 Cg_endo -74.95 -71.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.5 mt 69.95 -61.33 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -128.38 48.72 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -98.87 -62.54 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.2 m -149.23 65.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -175.76 -56.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.26 -66.57 1.03 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.97 29.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 p -58.29 163.39 3.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.86 148.26 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 108.292 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 1.0 109.956 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mtt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.464 0.173 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -82.22 155.46 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.62 99.98 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.54 -59.94 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 62.91 62.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.73 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 42.9 57.7 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 177.68 104.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.08 -48.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 42.22 36.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.027 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -68.8 150.56 97.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.24 27.48 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.86 -49.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.1 mp -91.69 -15.23 28.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.7 t 84.94 -48.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 75.26 72.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.56 -73.46 1.01 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 60.01 5.34 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 m -66.83 -62.27 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.4 98.24 0.12 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -149.46 69.97 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -170.19 -57.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.75 -18.87 40.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.576 1.172 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -72.18 -39.75 68.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.9 t -80.93 -19.5 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.75 -62.58 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -56.91 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m -44.75 -58.06 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -60.87 -42.77 98.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -50.57 -22.04 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -109.65 -43.89 3.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -38.33 69.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -44.58 -44.18 8.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.61 88.27 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.1 mm -82.65 -97.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -40.69 -68.57 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.56 1.162 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? 49.17 84.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.737 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.1 m 64.3 150.75 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.264 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 96.91 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.53 1.805 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.03 -37.93 81.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.58 -63.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -177.19 -63.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.0 -58.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 4.0 pt20 -176.69 65.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.67 -149.13 0.23 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 61.26 5.63 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.419 1.747 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.62 125.71 0.6 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.7 p -111.28 53.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.278 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 1.0 110.018 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 tmm? . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.501 0.191 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 p -165.75 155.17 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.19 72.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.256 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -177.38 75.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -175.74 -62.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.2 ttt 57.9 76.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 tp -159.44 82.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.71 97.76 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -160.79 -44.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.72 50.99 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -139.23 150.69 65.38 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 170.67 19.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.86 -48.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mt 68.63 53.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.2 m -79.42 58.2 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 67.82 63.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.73 -70.96 1.02 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 171.35 18.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 20' ' ' GLY . 7.2 t -138.06 -47.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.413 ' N ' ' CG2' ' A' ' 19' ' ' THR . . . 140.55 -58.61 0.58 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mp 69.51 62.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.56 -61.33 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.74 -37.83 92.98 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 111.061 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -69.78 -15.91 63.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.8 t -100.47 -33.99 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.6 -60.65 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.31 -53.26 17.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -45.41 -59.6 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -61.88 -42.75 99.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -51.78 -21.32 2.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.469 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 8.9 t80 -109.66 -45.93 3.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -36.7 63.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -43.12 -57.35 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.9 p -140.67 82.92 1.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.469 ' CD1' ' CD2' ' A' ' 31' ' ' PHE . 19.5 mm -61.48 -95.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 35' ' ' ILE . . . 147.37 118.48 1.05 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.27 74.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 70.6 m -85.69 150.44 53.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.272 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 87.23 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.0 tt -85.95 8.67 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 68.78 51.04 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -159.05 -60.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.9 t -66.47 -45.63 79.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.452 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -105.72 -57.48 2.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.76 157.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 112.86 3.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 m -156.83 -60.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 54.24 78.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 108.289 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.2 m . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 109.971 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mmm . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.508 0.194 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.68 147.45 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.77 -138.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.58 -61.95 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -174.15 -57.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.502 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.11 -50.76 71.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 6' ' ' MET . 0.3 OUTLIER 87.99 -45.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.411 ' CD1' HD22 ' A' ' 7' ' ' LEU . 2.0 mp -158.83 -105.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.34 34.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.2 m -161.97 37.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -153.84 77.95 5.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 108.302 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.47 30.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 77.2 t -144.47 -49.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD21 ' N ' ' A' ' 14' ' ' LEU . 3.8 mm? 65.06 42.94 3.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.26 -57.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -157.69 -46.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.253 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.09 -58.51 0.2 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.448 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.0 -38.96 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.448 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 3.1 m 79.1 -53.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.42 -91.36 0.4 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 69.73 58.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.06 76.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.18 -51.11 0.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -19.78 61.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.76 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.0 t -90.56 -16.4 8.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.88 -56.56 5.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -51.79 -55.06 22.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -41.65 -60.52 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -57.48 -45.04 85.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -18.62 6.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -108.59 -19.76 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mp -103.03 19.65 19.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -89.8 -39.52 13.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.7 p -142.81 89.11 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.0 pt -109.05 -30.7 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.64 93.42 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -152.64 67.98 0.83 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 0.754 . . . . 0.0 110.306 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.5 m 63.31 150.44 0.11 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 108.286 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 104.59 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.57 -39.4 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -54.66 -69.4 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 179.06 -65.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 t -176.42 -51.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.412 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -177.91 82.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.47 -72.69 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -177.97 3.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.498 1.789 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.5 m 63.27 -82.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.422 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.0 p -78.25 141.97 38.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 108.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 1.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.423 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 2.4 mmt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.481 0.181 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.423 ' CG1' ' O ' ' A' ' 1' ' ' MET . 9.1 p 45.98 32.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 43.31 87.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.98 61.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -178.1 62.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -179.64 78.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.44 -63.1 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -154.94 65.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -162.53 61.7 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 t -133.33 -46.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 62.07 147.58 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 108.259 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -171.07 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.3 t -147.71 -54.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mp -67.41 -46.53 72.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 t 77.16 -57.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -78.32 -95.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.6 1.187 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.76 -62.21 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.566 1.166 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.94 19.31 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 p -137.11 -47.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.06 -35.54 0.41 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.12 . . . . 0.0 111.061 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp -90.32 49.77 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -152.32 -51.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.68 -29.4 52.36 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -72.31 -35.04 68.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 0.793 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -80.49 -18.91 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.27 -60.13 2.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -53.36 -57.34 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -42.1 -58.9 1.94 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.375 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.58 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 5.0 m-85 -62.42 -37.17 84.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -74.1 -4.19 34.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -108.57 -29.75 8.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.13 24.53 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 29' ' ' TYR . 3.0 m-85 -121.88 15.85 10.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -165.18 64.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.973 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 pt -106.07 -31.1 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.12 69.91 0.95 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.76 87.34 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 0.76 . . . . 0.0 110.268 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.9 m -41.75 101.77 0.25 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 85.48 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.549 1.815 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.4 pt -73.6 -34.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -49.56 66.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 63.47 75.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.6 t -162.42 49.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.33 -69.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -37.53 98.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 96.79 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.468 1.772 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.8 t -136.57 150.02 48.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.804 ' O ' ' OXT' ' A' ' 49' ' ' SER . 14.8 m 62.08 115.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.804 ' OXT' ' O ' ' A' ' 48' ' ' CYS . 91.1 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 1.0 110.024 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.52 0.2 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.9 p -106.65 149.4 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.25 99.14 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.92 70.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -157.63 -69.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 38.89 54.6 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.4 ' N ' HD21 ' A' ' 7' ' ' LEU . 4.3 mm? -62.18 -81.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mt 41.62 76.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.08 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.71 47.52 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -74.17 -53.98 3.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.298 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -75.01 67.28 5.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.7 p -90.47 -26.22 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.33 62.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 t -98.37 66.42 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 67.58 65.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.21 -61.71 1.88 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -176.46 2.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.3 t -154.73 -44.9 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.54 51.31 4.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -137.26 15.03 3.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -170.87 -44.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.49 -31.04 62.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -41.55 72.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.32 -18.9 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.87 -57.17 3.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.77 -58.98 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.2 m -41.79 -59.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -58.19 -39.78 79.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -74.72 -2.92 28.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.88 -25.2 10.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.4 mt -101.45 24.83 9.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -106.35 -51.38 2.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 35' ' ' ILE . 17.6 t -84.39 -61.69 1.74 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 34' ' ' SER . 22.7 pt 43.76 93.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.36 168.96 0.44 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 52.77 88.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 110.264 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.57 94.84 1.2 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 108.327 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 107.2 2.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.7 mp -56.24 -86.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.31 57.75 2.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 72.37 -63.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.7 p -123.94 -49.05 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.23 -41.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.08 93.14 0.11 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 77.53 3.09 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.0 m 49.24 85.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.777 ' O ' ' OXT' ' A' ' 49' ' ' SER . 87.7 m 61.75 116.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 108.298 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.777 ' OXT' ' O ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.955 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.53 0.205 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.2 t 63.79 143.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.86 129.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.02 61.77 0.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.53 -61.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.1 ttp 43.97 63.28 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 40.52 50.87 2.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -154.16 90.34 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -176.22 52.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.52 -56.92 2.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 66.1 m 43.27 87.86 0.11 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 108.329 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.51 33.21 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.4 t -91.9 -35.98 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mp 68.32 59.88 0.41 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.65 57.75 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -162.67 39.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.93 -66.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.69 17.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.554 1.818 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.4 m -80.86 -60.36 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.4 108.82 0.51 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 40.6 67.24 0.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tt -123.05 -58.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.65 -30.06 42.17 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -15.2 61.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -107.71 -32.24 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.51 51.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.21 -42.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.9 m -71.25 -44.72 64.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -66.18 -38.53 88.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -19.15 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.49 -43.99 3.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -17.86 19.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -72.23 -42.65 65.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 35' ' ' ILE . 0.2 OUTLIER -86.14 -94.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.968 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 34' ' ' SER . 22.6 pt 43.85 93.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.04 142.73 9.8 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 38' ' ' CYS . 74.6 mtm-85 -113.17 -29.7 7.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER 162.39 -54.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.4 Cg_endo -74.94 102.7 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.4 tp -141.75 -47.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -168.68 63.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -177.49 64.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.3 t -73.9 -50.0 22.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 174.07 42.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.51 -171.49 26.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -47.6 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.1 p 45.0 -163.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.7 m -152.57 -62.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 108.317 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 1.0 109.995 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.522 0.201 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.5 t 62.72 125.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.82 -138.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 65.08 77.04 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.93 87.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -23.42 35.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp 40.93 69.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 tt -160.28 86.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.39 -50.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t 49.82 42.81 24.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.3 149.8 3.29 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 108.315 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -65.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.77 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 p -168.52 -43.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt 68.61 49.49 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.5 t 76.7 -58.17 0.52 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.976 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -166.26 -49.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.358 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.01 -59.36 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -41.37 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.7 m -90.93 32.19 1.02 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.366 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.0 -55.4 2.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.3 mt -94.02 53.74 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.475 ' CD2' ' C ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -117.58 -54.67 2.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' N ' HD11 ' A' ' 22' ' ' LEU . . . -61.06 -24.37 62.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -74.85 -16.74 60.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.29 -16.27 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.52 -64.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' GLN . 18.6 pttt -50.22 -47.33 54.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.428 ' N ' ' CG ' ' A' ' 27' ' ' LYS . 6.7 t -44.14 -42.04 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -65.49 -35.77 81.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 27' ' ' LYS . 1.6 tt0 -98.85 22.22 10.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -118.46 -42.59 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.437 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 6.1 mt -67.99 -24.34 65.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -93.96 15.56 16.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.19 97.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.437 ' CD1' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -153.66 94.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 114.13 -83.65 0.34 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.34 99.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 110.36 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 63.4 m 60.51 95.18 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 108.332 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.8 41.25 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.436 HD13 ' CG2' ' A' ' 43' ' ' THR . 1.4 mp -88.69 45.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 71.43 53.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 61.62 88.28 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.436 ' CG2' HD13 ' A' ' 40' ' ' ILE . 15.6 p -53.03 -30.18 34.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.421 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -179.61 36.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.313 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' GLN . . . 37.7 83.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.72 2.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -108.99 157.46 18.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 86.7 m -116.8 109.71 17.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 108.286 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtp . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.531 0.205 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.9 m -141.24 155.43 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 44.64 90.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 5' ' ' ALA . . . -91.43 50.6 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 4' ' ' ALA . . . 85.09 -48.67 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 tmm? 38.62 56.26 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mp -81.96 -67.11 0.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.2 96.53 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -146.22 55.02 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.04 -57.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.1 m -69.68 150.46 96.7 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 108.342 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 165.2 31.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.968 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.62 -47.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.34 55.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.85 51.62 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 61.24 68.1 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.09 -75.8 0.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.38 22.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.1 m 45.96 31.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.38 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.85 46.27 3.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mp -96.12 54.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 0.0 109.253 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -141.72 -64.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.7 -18.55 11.19 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.506 ' O ' ' CG2' ' A' ' 28' ' ' THR . 2.6 tttp -69.72 -8.26 46.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 0.735 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.461 ' CA ' ' OG1' ' A' ' 28' ' ' THR . 40.8 t -124.07 -41.75 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.47 -65.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -47.78 75.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 2.1 p -47.22 -33.69 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -80.56 -38.75 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -62.74 -13.16 29.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -109.08 -24.48 11.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.47 ' CD1' ' O ' ' A' ' 28' ' ' THR . 10.2 mt -93.36 19.79 7.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -123.17 -52.14 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.32 55.41 1.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 32' ' ' LEU . 54.5 mt -111.02 -30.94 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.89 77.06 1.08 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -73.16 -92.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -60.91 -53.99 58.73 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.1 Cg_endo -75.01 89.6 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.9 tt -76.59 -39.37 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.87 77.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 71.43 -63.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.9 m 69.55 -61.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.77 55.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.97 -174.42 48.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -55.62 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.533 1.807 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 m -150.04 -59.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.415 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.1 m 67.52 73.6 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 108.374 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 1.0 110.013 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.514 0.197 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 5.1 m 40.42 -159.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 2' ' ' VAL . . . 83.13 67.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 176.54 66.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -175.24 -64.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.463 ' C ' ' CD2' ' A' ' 7' ' ' LEU . 8.9 ptp -175.94 45.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER 40.64 49.53 2.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 5.1 tp 86.96 -56.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 10' ' ' SER . 3.5 mmt180 -151.7 -71.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER 81.82 -5.04 1.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.003 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 p -88.87 150.81 46.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.245 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -60.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.435 1.755 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.2 t -153.68 -75.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -160.79 51.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.5 p 83.55 -51.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -165.61 -72.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.4 -64.31 0.08 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.01 -165.88 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 1.8 m 82.02 111.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 142.15 81.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -147.04 81.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.445 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -103.59 -21.53 13.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.409 ' N ' ' CD1' ' A' ' 22' ' ' LEU . . . -62.54 -24.35 65.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -75.14 -36.78 61.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.9 t -82.48 -16.38 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.94 -50.12 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -57.15 -53.14 61.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -43.98 -30.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.54 -33.05 16.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -68.26 -8.36 38.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.24 -29.14 7.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.62 20.83 9.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -111.19 -42.78 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 90.8 p -92.74 62.06 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.4 pt -109.73 -27.17 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.03 118.21 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.158 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -28.57 19.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 67.49 78.36 0.24 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 108.32 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 85.31 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 tt -47.28 -38.98 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.38 -69.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 72.61 -62.66 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.0 p 45.76 51.72 10.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.392 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -170.13 32.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.23 158.66 19.45 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.54 3.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.3 m 63.78 139.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.08 -36.23 8.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 108.286 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 110.028 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.463 0.173 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.5 t -70.26 129.53 34.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -158.93 -142.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.28 -70.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 40.59 73.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 24.6 ttm -57.92 -62.02 2.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -173.88 -67.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -174.75 -68.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' A' ' 10' ' ' SER . 4.4 ptp85 -176.22 -53.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER 87.36 -37.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.047 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 m 63.24 150.68 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.32 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -168.13 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 98.5 t -71.01 -50.58 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.35 -64.74 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.5 t 56.74 64.68 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.85 -81.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.87 -61.91 0.07 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -169.78 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.7 m -137.38 23.54 2.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 144.32 47.28 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mt 47.48 85.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.49 -51.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.31 -23.45 70.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.05 -16.59 54.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.1 t -101.02 -15.85 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.45 -59.32 2.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' GLN . 17.6 mmtt -54.11 -55.04 31.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -41.83 -38.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.378 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -68.72 -41.32 79.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LYS . 7.5 tt0 -46.94 -24.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -109.68 -42.91 4.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.418 ' HA ' ' CG2' ' A' ' 35' ' ' ILE . 0.2 OUTLIER -56.45 -35.84 68.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -47.17 -26.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.16 94.18 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.418 ' CG2' ' HA ' ' A' ' 32' ' ' LEU . 36.2 pt -108.16 -31.2 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 160.58 162.95 13.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.69 52.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.491 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -68.34 -54.1 15.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.276 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.2 Cg_endo -75.01 121.56 6.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.502 1.79 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.2 mm -116.93 -88.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.244 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.1 -60.15 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.85 -67.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 t -175.19 -38.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.356 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -178.03 62.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.64 178.75 38.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 171.18 18.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.6 p -42.91 163.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 m 58.38 77.25 0.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.575 1.172 . . . . 0.0 108.296 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 1.0 110.008 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.472 0.177 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 7.8 p -129.54 149.61 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 2' ' ' VAL . . . 80.7 122.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -155.58 62.1 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.56 -60.76 3.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.4 tpt 59.26 56.24 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mt -91.53 46.55 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 tp -80.7 54.43 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -175.96 48.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -166.87 -58.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -72.46 150.33 91.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 108.27 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.73 42.66 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.9 t -74.76 -48.46 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp -141.48 -48.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 p 74.22 32.07 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -106.69 17.43 23.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.95 -67.96 1.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.01 179.39 6.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.444 1.76 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.435 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 3.1 m 79.19 -53.61 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.428 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.46 -44.3 34.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 76.41 91.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.332 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.25 -60.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.69 -22.64 47.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -40.78 64.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.8 t -77.81 -18.02 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.66 -59.6 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.26 -55.55 3.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.5 m -45.01 -56.61 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -63.91 -40.08 95.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -61.9 -13.88 28.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.63 -42.32 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -43.46 87.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -52.14 -44.36 64.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -67.12 -56.02 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.055 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 36' ' ' GLY . 20.2 mt -48.15 -94.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' N ' HG23 ' A' ' 35' ' ' ILE . . . 76.92 -94.78 1.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -151.57 83.32 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.6 p -117.89 150.59 47.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.152 . . . . 0.0 108.27 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' ILE . 18.1 Cg_endo -75.03 -65.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' PRO . 26.0 mm 40.53 35.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 mp 60.61 66.67 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -173.93 77.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.7 p -137.94 -56.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.376 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -174.44 83.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.263 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.83 171.1 25.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.98 34.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -98.66 124.8 43.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.352 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.2 m 62.45 150.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 108.284 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.7 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 1.0 109.994 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.456 0.17 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.432 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 91.3 t -106.18 145.56 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 2' ' ' VAL . . . 79.7 136.75 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.63 -61.76 1.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 74.21 97.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.2 mmt 60.65 78.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -51.81 64.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tt -168.03 90.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 10' ' ' SER . 7.6 mtm180 -145.74 -78.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER 82.58 -6.22 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.0 p -99.52 151.07 37.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.329 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 166.39 29.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 14' ' ' LEU . 7.2 p -78.72 -32.73 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' N ' HG11 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -97.75 37.33 1.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.5 t -74.87 57.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 45.69 76.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.73 -78.82 0.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.65 5.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 t -88.74 -29.22 19.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.4 75.84 1.2 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mt -94.49 53.1 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -165.3 -63.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.41 -31.06 13.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.105 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -71.24 -40.16 71.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 0.787 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -78.08 -22.2 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.17 -62.46 1.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.09 -57.67 4.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -42.88 -59.0 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -59.92 -29.57 68.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.18 18.8 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -123.8 -40.11 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -92.54 22.91 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -110.64 -57.56 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -99.28 60.16 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.7 mp -61.73 -20.33 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.96 -124.68 5.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -113.18 -29.6 7.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.496 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER 163.82 -54.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 108.316 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.3 Cg_endo -75.03 147.63 34.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.7 mm -81.92 -37.49 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -164.17 55.66 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 39' ' ' PRO . . . -176.99 95.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.8 t -102.78 -35.16 8.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.431 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.42 74.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.59 -150.88 6.07 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.69 41.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 p -75.21 -24.07 57.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.9 m 64.97 134.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 108.271 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 1.0 110.02 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.517 0.198 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 73.6 t -132.24 103.18 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 43.91 83.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.82 85.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -169.71 -61.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.51 83.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 111.04 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -64.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp 44.27 88.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -146.63 34.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.59 32.79 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.9 m -85.52 150.69 54.55 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 108.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 171.69 17.81 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.3 p -145.52 -50.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.41 -71.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.6 t 45.69 83.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 66.45 86.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -96.32 -72.44 1.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 115.37 4.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.555 1.818 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.1 p -70.58 -57.01 5.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.425 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.58 90.24 0.08 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.3 mp -96.53 54.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 0.804 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 tt -156.99 99.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.29 -60.6 0.66 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -24.44 61.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.8 t -86.66 -17.94 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.97 -37.29 9.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -71.44 -33.41 69.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -64.87 -19.59 65.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.66 ' CE1' ' CD1' ' A' ' 33' ' ' PHE . 29.6 t80 -95.0 -34.1 12.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -18.75 13.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -106.22 -37.32 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -17.66 58.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.66 ' CD1' ' CE1' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -91.09 6.18 45.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.93 61.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.964 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 36' ' ' GLY . 72.7 mt -135.3 -94.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 37' ' ' ARG . . . 161.16 -167.01 35.95 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 38' ' ' CYS . 1.7 mtt180 164.47 -29.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER 162.87 -54.03 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.294 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.3 Cg_endo -74.98 102.41 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.547 1.814 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mt -85.4 -87.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 tp -58.21 -59.3 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -169.97 -62.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 m -157.04 -60.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.398 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 1.034 ' O ' ' OXT' ' A' ' 49' ' ' SER . 57.5 tt0 -177.12 64.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.33 -161.68 12.73 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -56.65 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.6 m -151.09 105.0 3.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.417 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 t 62.17 149.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.298 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 1.034 ' OXT' ' O ' ' A' ' 44' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 1.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mtt . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.507 0.194 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p -106.57 43.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 175.26 86.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.83 -65.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.26 89.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -74.88 -58.39 3.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.37 -68.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tp -170.95 -67.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.49 -51.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.64 44.18 3.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.69 80.64 0.56 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 108.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -66.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.777 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.3 t -144.51 -59.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tp -137.53 -58.58 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.448 ' OG ' ' NE2' ' A' ' 16' ' ' GLN . 3.7 t 77.65 -57.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.448 ' NE2' ' OG ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -164.71 92.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -105.11 -74.39 0.95 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -175.51 2.39 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.0 m -67.94 -61.44 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.1 111.81 3.6 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 mt -152.62 71.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.67 -66.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.44 -26.02 69.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -27.95 62.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 0.774 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.5 t -79.81 -19.98 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.4 -60.9 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -51.29 -54.31 27.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 m -42.35 -60.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -63.36 -40.86 98.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -20.94 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.39 -51.62 2.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.19 -30.29 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -44.86 -39.82 5.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 t -148.66 93.81 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.3 pt -108.91 -26.74 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -127.64 -136.11 4.22 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 mtm-85 -109.94 -25.17 10.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.786 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 176.94 66.59 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.267 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 100.92 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.453 1.765 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mm -58.39 -90.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.5 tp -114.07 55.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 47.68 55.9 7.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.8 m 60.18 50.29 6.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.426 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.17 27.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.45 -171.08 4.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.103 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.53 30.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 t -75.14 -35.94 61.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.369 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.4 m 62.73 149.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 108.268 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 1.0 109.967 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.514 0.197 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.2 m -137.01 60.26 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -179.29 132.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.69 64.81 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.87 -61.61 2.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.34 79.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.93 -70.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp 44.78 85.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 10' ' ' SER . 3.4 mmt180 -152.7 -72.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER 84.47 -8.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t 57.07 87.13 0.15 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 108.297 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -22.25 14.98 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 9.3 p -91.83 -16.4 7.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER 87.06 -48.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.9 t 44.25 79.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.42 -46.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.21 -63.27 1.74 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -74.99 -89.37 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 3.1 m 79.15 -53.61 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.8 -45.07 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.3 mt 67.32 96.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.84 -33.05 73.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.41 -17.46 18.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.413 1.071 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.472 ' O ' ' CG2' ' A' ' 28' ' ' THR . 2.1 tppt? -69.83 -44.62 69.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.3 t -77.39 -1.2 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.28 -67.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -53.67 -44.75 69.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.333 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 23.4 p -38.76 -46.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -65.63 -44.55 86.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' LYS . 2.9 mt-30 -53.37 -20.04 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.487 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 1.4 t80 -109.32 -22.75 11.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.56 17.66 14.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -91.11 -20.03 22.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 m -154.24 -45.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 3.6 mm 67.36 15.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.48 69.57 1.41 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -150.68 84.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.4 p -143.56 150.66 51.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 108.271 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 122.1 6.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.1 pt -87.55 65.88 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 mp 70.07 63.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.94 63.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.0 t -77.5 -45.97 23.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -149.66 -59.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 117.93 -70.74 0.3 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 169.52 22.44 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.568 1.825 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.4 p -120.47 113.04 19.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 110.41 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 64.69 66.32 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 108.304 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 110.006 179.966 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.516 0.198 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.8 p -164.76 144.72 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.74 131.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.99 -58.78 3.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.66 -59.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -150.59 -56.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.02 -66.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pp -173.76 79.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -148.31 31.91 0.82 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.54 31.5 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.58 149.73 36.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.89 30.79 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.433 1.754 . . . . 0.0 111.003 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -92.04 35.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 59.92 71.42 0.58 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.76 -51.36 49.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.92 61.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.55 -75.62 0.2 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 169.42 22.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.571 1.827 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.1 p -144.72 85.25 1.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.71 53.43 1.1 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -141.25 79.41 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -175.94 -55.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.74 -9.99 63.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.91 -16.17 39.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.1 t -106.5 -23.1 4.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.06 -63.22 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -53.69 24.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.5 m -42.54 -59.02 2.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -61.65 -42.24 98.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -50.03 -22.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -109.46 -41.23 4.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -37.76 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -45.97 -47.71 16.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.85 81.05 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.003 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.6 mm -54.97 -95.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 37' ' ' ARG . . . 71.36 86.16 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER 162.46 -29.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.1 m -127.24 150.74 73.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 108.346 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.407 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 18.3 Cg_endo -74.98 131.29 14.15 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.482 1.78 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.492 ' O ' ' CD1' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -96.51 -26.09 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.417 ' N ' HG21 ' A' ' 40' ' ' ILE . 17.0 tp -174.22 56.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -167.25 75.93 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' A' ' 39' ' ' PRO . 44.1 p -129.08 -45.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -165.53 -47.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -118.55 89.57 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -47.91 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.464 1.77 . . . . 0.0 111.054 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.1 m -84.76 -57.75 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.3 144.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 108.315 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.6 p . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 1.0 109.976 -179.95 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.524 0.202 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 6.3 p -130.48 155.79 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 2' ' ' VAL . . . 82.83 100.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -43.33 -64.96 0.55 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 61.69 91.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.04 84.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -61.16 -39.26 89.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.484 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER 86.94 104.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.87 -44.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.78 46.26 7.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.7 m 57.71 94.55 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.497 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 169.67 22.12 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.516 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 69.6 t -157.31 -45.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.516 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 4.1 tp 88.92 -42.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.7 t 58.32 104.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 39.64 80.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.79 -68.64 1.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 120.09 5.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.432 1.753 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -78.78 -62.09 1.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -174.56 73.26 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -96.24 55.82 1.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 109.264 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' VAL . 5.6 tt -164.81 -58.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.28 -27.68 1.85 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -44.62 63.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 22' ' ' LEU . 84.2 t -76.44 -16.01 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -100.08 52.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.55 -54.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.0 m -57.49 -49.73 75.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -68.51 -41.14 80.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -54.6 -19.13 5.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -109.83 -39.85 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -38.3 75.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -55.54 -60.23 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -98.81 68.51 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.3 mm -40.67 -30.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' SER . . . 100.79 88.97 2.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.28 25.83 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -74.48 -54.02 3.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 108.312 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.2 Cg_endo -75.01 -43.18 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.411 ' CG2' HD21 ' A' ' 41' ' ' LEU . 2.0 tp -40.93 -38.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.411 HD21 ' CG2' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -129.82 69.04 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.36 -64.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.8 t -162.25 -47.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -170.31 81.14 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.28 159.83 27.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 169.77 21.87 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.8 m -72.84 84.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.368 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -113.85 139.03 49.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 109.974 179.989 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mtm . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.487 0.184 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 p 43.87 32.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -158.9 -142.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -171.47 -59.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -170.13 55.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 39.16 57.35 2.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -169.36 79.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 mp -81.15 -68.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -176.13 43.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.9 38.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.6 p -143.36 66.89 16.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 108.306 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -65.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 4.3 p -174.49 -40.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.513 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER 88.66 -43.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.5 t 48.9 48.64 20.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -165.63 48.14 0.09 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -105.36 -76.62 1.07 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -64.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -159.49 -62.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.32 101.94 2.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.78 40.47 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -135.09 -65.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . -59.43 -21.65 54.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.14 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -72.92 -22.37 60.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.38 -30.4 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.03 55.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.2 OUTLIER -178.35 -41.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.5 m -75.13 -39.68 60.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -67.29 -38.79 85.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -13.08 25.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.41 -48.82 3.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.2 -31.52 53.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -45.34 -26.76 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.5 p -67.59 -94.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 pp -42.61 -30.9 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.47 ' O ' ' CD ' ' A' ' 37' ' ' ARG . . . 44.3 89.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CD ' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -172.66 94.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.316 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -167.0 68.59 0.96 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 108.274 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 82.07 2.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.781 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.8 pt -93.07 -31.48 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.76 -50.83 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.08 64.13 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.3 t -86.19 -29.69 23.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -155.49 60.18 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.76 -164.97 19.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.03 4.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 m -124.08 133.05 53.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.5 m -87.14 -62.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 108.253 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 1.0 110.024 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.526 0.203 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 3' ' ' ALA . 1.2 p -165.7 -157.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.488 ' N ' ' CG1' ' A' ' 2' ' ' VAL . . . -158.83 -142.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.74 -60.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.52 89.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.4 ttt -152.35 68.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.429 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 1.5 mt -91.53 -54.23 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.429 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER 83.0 58.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -174.0 -42.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER 39.44 37.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' SER . 0.1 OUTLIER 62.0 147.62 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -169.75 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -146.18 -47.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.16 -68.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 m 39.51 89.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.974 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 65.38 95.77 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -96.83 -71.35 1.06 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.8 13.89 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.4 m -136.76 -60.06 0.7 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.21 111.7 0.75 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.547 1.155 . . . . 0.0 111.052 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.54 77.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 tt -173.75 107.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.24 -59.76 0.53 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -29.11 66.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.2 t -80.5 -26.55 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -71.42 -63.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 -53.84 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -49.95 -44.26 50.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' ALA . 1.7 t80 -87.01 12.64 10.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.038 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -115.1 -6.8 12.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -107.62 -40.51 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.54 -28.96 68.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.13 -16.68 34.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.73 43.11 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.4 pt -107.74 -29.79 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.41 -125.74 2.98 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' O ' ' CB ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER 166.85 -30.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.491 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER 165.33 -54.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.276 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.3 Cg_endo -74.99 59.49 5.2 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.544 1.813 . . . . 0.0 111.008 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.2 pt -74.74 -24.42 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tp -110.64 -64.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.17 -61.79 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -173.54 -39.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -179.32 -40.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 142.9 96.96 0.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -37.17 2.12 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -39.54 147.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.372 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m 66.98 88.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 110.005 179.981 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.497 0.189 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 68.4 t 60.92 150.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 2' ' ' VAL . . . 82.57 61.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.09 -51.59 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 75.95 97.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.6 mtt -87.82 38.74 0.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -91.48 45.36 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -81.48 54.76 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -176.08 37.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.44 42.22 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.946 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -139.33 150.64 64.9 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 108.311 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.65 35.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.87 -47.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.33 54.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.9 t -76.07 56.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.458 ' CA ' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -159.39 34.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -110.84 -74.59 0.76 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.12 9.29 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.3 p -136.79 -45.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.458 ' HA2' ' CA ' ' A' ' 16' ' ' GLN . . . -46.14 -58.07 5.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 70.05 97.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 0.785 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -59.79 -40.44 88.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.31 -35.97 56.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -70.11 -36.89 75.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.766 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.4 t -79.09 -21.76 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.96 -59.17 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.26 -58.4 6.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.404 ' CG2' HD11 ' A' ' 32' ' ' LEU . 8.2 m -39.61 -61.46 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -63.32 -43.39 97.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -56.04 -19.33 12.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -108.93 -18.59 13.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD11 ' CG2' ' A' ' 28' ' ' THR . 76.8 mt -104.59 17.84 23.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -83.44 -49.31 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.32 66.08 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 tt -64.59 -29.01 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -128.17 -133.47 3.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -153.31 54.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -179.96 68.17 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 108.259 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 99.64 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.435 1.755 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.8 mt -127.4 44.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 41.93 63.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 47.89 94.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.6 m -49.45 -65.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 175.51 55.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.14 164.53 13.15 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.2 14.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.438 ' O ' ' CB ' ' A' ' 48' ' ' CYS . 7.1 m -105.31 75.79 1.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 47' ' ' THR . 0.1 OUTLIER 82.92 -62.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 108.292 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 110.015 -179.977 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.48 0.181 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 67.0 t -88.49 145.02 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 2' ' ' VAL . . . 79.66 136.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.66 87.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.26 -61.22 2.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.6 mmt 56.48 71.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp -89.63 -22.73 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp -81.48 55.28 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.89 44.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.26 48.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -68.35 150.65 97.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.14 8.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 111.061 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 14' ' ' LEU . 13.1 p -163.66 -45.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' N ' HG11 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -155.58 77.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -143.84 80.41 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 72.42 47.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.03 -76.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -49.8 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.5 p -145.56 85.42 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.71 69.17 0.32 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 mp 41.3 67.18 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -178.48 -38.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . -81.42 -17.66 70.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.77 -14.83 59.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.8 t -112.84 -11.62 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.29 44.61 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -169.87 -42.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.459 ' CG2' HD13 ' A' ' 32' ' ' LEU . 43.5 m -64.56 -44.92 89.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -37.05 84.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.046 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -17.83 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -109.07 -26.11 10.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 HD13 ' CG2' ' A' ' 28' ' ' THR . 75.0 mt -99.75 24.01 8.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -98.27 -33.52 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.8 p -67.08 -59.9 3.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -45.15 -92.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.89 -136.71 28.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -155.21 -44.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -42.67 -54.12 8.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 108.271 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.4 Cg_endo -74.99 -168.5 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.453 1.764 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.1 mm 46.25 46.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.1 tp -148.13 -64.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -175.04 70.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 t -90.61 -7.15 53.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -165.78 50.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.34 88.96 0.42 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.433 1.083 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.37 9.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.56 1.821 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.3 p -136.47 135.67 38.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.426 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.1 m 55.74 97.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 108.266 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 1.0 110.015 179.952 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ptt? . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.528 0.204 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 4' ' ' ALA . 35.6 m -130.9 155.24 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.9 75.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 5' ' ' ALA . . . -102.49 60.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 4' ' ' ALA . . . 85.07 -48.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 46.95 65.35 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.2 tp -145.18 -50.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp 65.94 101.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -163.49 48.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.25 -50.76 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.8 m -67.26 150.4 97.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.315 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.76 10.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.7 t 62.1 34.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.88 -63.24 0.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 t -163.66 -60.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.946 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -164.32 -46.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.69 -63.78 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.01 -15.27 20.8 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 3.1 m 79.16 -53.55 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.87 -57.33 0.31 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.567 1.167 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.03 58.2 2.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tp -144.13 -68.63 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.06 -26.63 58.69 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.556 1.16 . . . . 0.0 111.023 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -73.15 -17.97 61.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 0.782 . . . . 0.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.84 -28.35 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -74.14 -56.78 4.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.56 -45.25 2.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.9 m -57.91 -48.16 80.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 26' ' ' ALA . 9.3 t80 -68.88 -33.77 74.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -61.97 -13.84 29.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.25 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -110.04 -43.23 4.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.4 mt -56.05 -39.82 72.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -55.84 -34.15 65.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.75 60.49 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.6 tt -99.91 -31.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.61 125.15 7.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.31 87.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.252 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -97.88 150.35 36.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.278 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -167.67 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.786 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.2 mm 70.0 -61.34 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.31 -72.95 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 71.14 -61.49 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.1 t -176.68 62.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.03 -70.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.91 157.78 34.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.48 41.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.1 t -82.78 127.76 33.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.449 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.98 118.19 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 1.0 110.013 -179.979 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.513 0.197 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.8 p -70.86 156.34 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 44.29 91.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.66 -56.38 7.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.4 -67.74 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -176.05 -62.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -162.42 -72.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp 50.2 79.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.87 90.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.97 -58.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 44.53 77.36 0.45 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 108.287 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 162.58 36.8 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.524 1.802 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.1 t -91.67 -49.15 13.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 76.73 50.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -57.49 3.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -140.39 63.15 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.85 -74.09 1.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -49.37 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.5 1.79 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.0 m 62.18 24.56 14.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.419 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.7 -66.74 0.71 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.75 -102.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 tt 44.85 90.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.85 -58.0 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -69.94 -16.84 63.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 t -89.76 -18.7 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.68 -44.3 9.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -61.73 -58.81 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 29' ' ' TYR . 3.9 t -39.53 -46.04 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.413 ' N ' ' CG2' ' A' ' 28' ' ' THR . 4.3 m-85 -63.91 -42.15 97.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -55.28 -18.82 6.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.49 -47.28 3.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -50.97 -33.2 23.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -54.99 -18.01 4.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.07 95.51 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 pp -140.3 -47.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.59 170.01 28.96 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.59 81.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.466 ' CB ' ' HD3' ' A' ' 39' ' ' PRO . 0.1 OUTLIER 171.12 -56.17 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 108.322 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 38' ' ' CYS . 18.3 Cg_endo -75.02 89.82 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.9 mt -66.57 -33.27 62.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.18 64.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -162.75 84.93 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 t -65.78 -44.41 85.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -135.95 -58.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.18 -154.31 33.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 73.66 4.27 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 p 38.92 61.84 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 58.63 88.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 108.355 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.4 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 1.0 110.011 -179.968 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttm . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.484 0.183 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.9 m -137.35 58.16 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -158.84 -142.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.89 -61.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.03 -54.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.0 ptt? 37.95 35.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.0 -59.88 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 mt 65.76 100.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -175.23 43.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 m -165.82 51.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.7 m -141.55 150.32 57.09 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.292 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.08 40.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.3 t -143.92 -57.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' O ' ' CB ' ' A' ' 15' ' ' SER . 2.8 mt -137.3 -61.49 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 4.8 t 78.31 -57.65 0.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.107 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -131.09 70.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -120.82 -77.34 0.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 66.46 5.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.779 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.3 m -137.5 -59.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.38 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 138.26 60.99 0.05 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.428 ' N ' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -98.07 47.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.2 tp -132.16 -60.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.29 -43.19 97.45 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.448 1.093 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -71.4 -16.76 62.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.8 t -96.94 -20.92 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . -70.93 -60.78 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -48.83 56.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.9 m -45.31 -58.05 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -63.18 -37.1 85.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -17.35 17.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.86 -31.99 7.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.7 23.2 7.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -87.62 -57.2 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.28 56.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 mm -115.18 -95.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.97 126.73 7.61 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 166.63 -30.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.301 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.3 p -145.04 150.51 45.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.332 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 75.51 3.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 tt -59.42 -29.88 43.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 pp -158.35 67.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 48.72 73.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 m -72.59 -62.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 179.28 69.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.093 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.22 94.7 0.1 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.68 22.08 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.474 1.776 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m 57.03 104.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.372 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -85.78 -62.33 1.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.315 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 1.0 109.996 179.968 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtp . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.451 0.167 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.3 t 62.16 119.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 44.86 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -41.27 -60.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 9' ' ' ARG . . . 65.8 92.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.408 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -174.87 82.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER 81.33 96.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER 86.79 56.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' CB ' ' HA ' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -152.72 26.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.39 55.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.1 m -150.49 150.78 29.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.337 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -170.76 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.13 -51.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 tp -148.93 72.19 1.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.0 t -94.38 60.07 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 61.5 66.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.15 -69.77 1.22 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.483 1.115 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -48.16 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 65.57 10.35 6.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.65 16.58 56.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.2 mt -97.58 56.42 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -129.42 -61.88 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.93 -20.82 62.76 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -21.7 62.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.0 t -86.14 -22.55 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.15 -45.96 11.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' GLN . 11.1 mtmt -56.82 -50.46 72.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.6 t -46.2 -26.36 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.395 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -90.61 -32.37 16.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 27' ' ' LYS . 5.9 tm0? -67.69 -8.96 39.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -110.09 -39.82 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -16.42 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.4 9.16 24.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.25 65.53 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.3 pt -110.54 -29.33 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.85 91.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' O ' ' CB ' ' A' ' 38' ' ' CYS . 6.6 tpt85 -177.55 98.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER 165.93 -54.02 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.264 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.1 Cg_endo -75.02 125.01 9.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -104.24 65.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 45.83 58.78 4.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -175.65 -75.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.4 HG23 ' CG ' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -158.13 -63.14 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.425 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.4 ' CG ' HG23 ' A' ' 43' ' ' THR . 2.6 pt20 174.85 -34.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.96 -166.62 18.89 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.113 . . . . 0.0 111.025 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.656 ' HG2' ' O ' ' A' ' 49' ' ' SER . 18.3 Cg_endo -75.03 166.05 30.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.561 1.822 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.5 p -64.47 -56.69 12.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -122.46 146.35 47.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.656 ' O ' ' HG2' ' A' ' 46' ' ' PRO . 47.5 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 1.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 tt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.86 -26.37 4.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -43.04 69.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.0 t -73.34 -17.2 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.8 49.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.63 -54.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -55.09 -53.35 57.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -63.68 -31.35 72.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -56.33 -18.39 10.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -109.44 -34.12 6.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.3 mt -95.45 22.87 6.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.155 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.9 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.732 HD13 ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.732 ' N ' HD13 ' A' ' 22' ' ' LEU . . . -43.17 -37.25 3.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -42.95 73.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' LEU . 76.4 t -75.31 -15.84 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . -71.77 -62.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.34 -56.28 6.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.679 HG22 HD12 ' A' ' 32' ' ' LEU . 20.8 m -40.43 -58.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.77 -41.0 88.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -50.8 -21.93 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.86 -49.24 3.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.679 HD12 HG22 ' A' ' 28' ' ' THR . 1.0 OUTLIER -51.58 -31.49 24.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.3 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.15 -27.77 32.07 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -41.49 75.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.7 t -74.73 -9.35 12.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.27 45.72 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.06 -42.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.564 HG22 ' CD1' ' A' ' 32' ' ' LEU . 79.1 m -64.36 -46.15 84.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.4 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -63.79 -39.61 94.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -60.1 -14.86 18.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.76 -44.53 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' CD1' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -54.43 -23.38 15.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.45 -32.5 81.3 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -69.73 -15.13 63.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 t -108.05 -11.01 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.26 47.52 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.69 -41.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 m -64.55 -38.6 91.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -65.85 -31.03 71.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.58 21.75 3.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -122.39 -39.81 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.04 16.75 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.59 -30.74 77.57 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -73.32 -24.4 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.8 t -92.17 -15.98 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.76 -57.57 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.16 -28.61 18.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.7 m -68.77 -47.74 65.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -64.56 -40.76 96.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -17.62 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -109.28 -38.58 5.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -49.96 75.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.75 -18.87 40.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.576 1.172 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -72.18 -39.75 68.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.9 t -80.93 -19.5 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.75 -62.58 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -56.91 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.585 ' CG2' HD13 ' A' ' 32' ' ' LEU . 7.0 m -44.75 -58.06 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -60.87 -42.77 98.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.57 -22.04 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -109.65 -43.89 3.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.585 HD13 ' CG2' ' A' ' 28' ' ' THR . 0.0 OUTLIER -55.76 -38.33 69.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.74 -37.83 92.98 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 111.061 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -69.78 -15.91 63.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.8 t -100.47 -33.99 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.6 -60.65 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.31 -53.26 17.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -45.41 -59.6 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -61.88 -42.75 99.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -51.78 -21.32 2.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -109.66 -45.93 3.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -36.7 63.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.18 -51.11 0.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -19.78 61.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.76 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.0 t -90.56 -16.4 8.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.88 -56.56 5.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -51.79 -55.06 22.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -41.65 -60.52 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -57.48 -45.04 85.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -18.62 6.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -108.59 -19.76 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mp -103.03 19.65 19.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.68 -29.4 52.36 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -72.31 -35.04 68.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 0.793 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -80.49 -18.91 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.27 -60.13 2.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -53.36 -57.34 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -42.1 -58.9 1.94 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.375 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.58 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 5.0 m-85 -62.42 -37.17 84.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -74.1 -4.19 34.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -108.57 -29.75 8.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.13 24.53 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 29' ' ' TYR . 3.0 m-85 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.793 HD23 ' H ' ' A' ' 23' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.793 ' H ' HD23 ' A' ' 22' ' ' LEU . . . -57.49 -31.04 62.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -41.55 72.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.32 -18.9 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.87 -57.17 3.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.77 -58.98 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.2 m -41.79 -59.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -58.19 -39.78 79.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -74.72 -2.92 28.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.88 -25.2 10.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.4 mt -101.45 24.83 9.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.65 -30.06 42.17 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -15.2 61.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -107.71 -32.24 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.51 51.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.21 -42.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.9 m -71.25 -44.72 64.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -66.18 -38.53 88.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -19.15 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.49 -43.99 3.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -17.86 19.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.4 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.815 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' HD13 ' A' ' 22' ' ' LEU . . . -61.06 -24.37 62.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -74.85 -16.74 60.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.29 -16.27 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.52 -64.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' GLN . 18.6 pttt -50.22 -47.33 54.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.428 ' N ' ' CG ' ' A' ' 27' ' ' LYS . 6.7 t -44.14 -42.04 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -65.49 -35.77 81.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 27' ' ' LYS . 1.6 tt0 -98.85 22.22 10.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -118.46 -42.59 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.99 -24.34 65.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.7 -18.55 11.19 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.691 ' O ' HG21 ' A' ' 28' ' ' THR . 2.6 tttp -69.72 -8.26 46.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 0.735 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.461 ' CA ' ' OG1' ' A' ' 28' ' ' THR . 40.8 t -124.07 -41.75 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.47 -65.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -47.78 75.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.691 HG21 ' O ' ' A' ' 24' ' ' LYS . 2.1 p -47.22 -33.69 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -80.56 -38.75 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -62.74 -13.16 29.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -109.08 -24.48 11.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 28' ' ' THR . 10.2 mt -93.36 19.79 7.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.977 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.928 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.911 ' N ' HD13 ' A' ' 22' ' ' LEU . . . -62.54 -24.35 65.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -75.14 -36.78 61.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.9 t -82.48 -16.38 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.94 -50.12 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -57.15 -53.14 61.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -43.98 -30.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.54 -33.05 16.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -68.26 -8.36 38.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.24 -29.14 7.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.62 20.83 9.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.1 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.934 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.31 -23.45 70.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.05 -16.59 54.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.1 t -101.02 -15.85 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.45 -59.32 2.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' GLN . 17.6 mmtt -54.11 -55.04 31.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -41.83 -38.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.378 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -68.72 -41.32 79.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LYS . 7.5 tt0 -46.94 -24.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -109.68 -42.91 4.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -35.84 68.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.9 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.69 -22.64 47.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -40.78 64.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.8 t -77.81 -18.02 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.66 -59.6 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.26 -55.55 3.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.425 HG22 HD12 ' A' ' 32' ' ' LEU . 18.5 m -45.01 -56.61 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -63.91 -40.08 95.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' HA ' ' OE1' ' A' ' 30' ' ' GLN . 4.2 tp-100 -61.9 -13.88 28.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.63 -42.32 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD12 HG22 ' A' ' 28' ' ' THR . 0.2 OUTLIER -58.15 -43.46 87.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.4 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 111.017 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.41 -31.06 13.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.105 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -71.24 -40.16 71.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 0.787 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -78.08 -22.2 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.17 -62.46 1.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.09 -57.67 4.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -42.88 -59.0 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -59.92 -29.57 68.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.18 18.8 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -123.8 -40.11 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -92.54 22.91 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 111.034 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 tt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.29 -60.6 0.66 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -24.44 61.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.8 t -86.66 -17.94 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.97 -37.29 9.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -71.44 -33.41 69.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -64.87 -19.59 65.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.66 ' CE1' ' CD1' ' A' ' 33' ' ' PHE . 29.6 t80 -95.0 -34.1 12.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -18.75 13.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -106.22 -37.32 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -17.66 58.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.66 ' CD1' ' CE1' ' A' ' 29' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.44 -26.02 69.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -27.95 62.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 0.774 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.5 t -79.81 -19.98 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.4 -60.9 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -51.29 -54.31 27.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.649 HG22 HD12 ' A' ' 32' ' ' LEU . 80.8 m -42.35 -60.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -63.36 -40.86 98.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -20.94 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.39 -51.62 2.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 28' ' ' THR . 0.5 OUTLIER -50.19 -30.29 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.5 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.513 ' O ' ' HB3' ' A' ' 26' ' ' ALA . . . -56.41 -17.46 18.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.413 1.071 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.898 ' O ' HG23 ' A' ' 28' ' ' THR . 2.1 tppt? -69.83 -44.62 69.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 25' ' ' VAL . 79.3 t -77.39 -1.2 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.28 -67.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -53.67 -44.75 69.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.333 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.898 HG23 ' O ' ' A' ' 24' ' ' LYS . 23.4 p -38.76 -46.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -65.63 -44.55 86.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' LYS . 2.9 mt-30 -53.37 -20.04 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -109.32 -22.75 11.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.56 17.66 14.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.988 179.977 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.74 -9.99 63.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.91 -16.17 39.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.1 t -106.5 -23.1 4.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.06 -63.22 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -53.69 24.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.5 m -42.54 -59.02 2.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -61.65 -42.24 98.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -50.03 -22.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -109.46 -41.23 4.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -37.76 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.5 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.97 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' VAL . 5.6 tt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.28 -27.68 1.85 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -44.62 63.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 22' ' ' LEU . 84.2 t -76.44 -16.01 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -100.08 52.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.55 -54.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.0 m -57.49 -49.73 75.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -68.51 -41.14 80.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -54.6 -19.13 5.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -109.83 -39.85 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -38.3 75.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.949 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . -59.43 -21.65 54.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.14 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -72.92 -22.37 60.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.38 -30.4 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.03 55.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.2 OUTLIER -178.35 -41.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.5 m -75.13 -39.68 60.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -67.29 -38.79 85.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -13.08 25.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.41 -48.82 3.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.2 -31.52 53.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.999 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 tt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.24 -59.76 0.53 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -29.11 66.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.2 t -80.5 -26.55 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -71.42 -63.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 -53.84 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -49.95 -44.26 50.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' ALA . 1.7 t80 -87.01 12.64 10.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.038 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -115.1 -6.8 12.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -107.62 -40.51 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.54 -28.96 68.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.31 -35.97 56.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -70.11 -36.89 75.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.766 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.4 t -79.09 -21.76 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.96 -59.17 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.26 -58.4 6.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.45 HG22 HD12 ' A' ' 32' ' ' LEU . 8.2 m -39.61 -61.46 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -63.32 -43.39 97.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -56.04 -19.33 12.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -108.93 -18.59 13.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.45 HD12 HG22 ' A' ' 28' ' ' THR . 76.8 mt -104.59 17.84 23.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 t80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 111.022 179.963 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 23' ' ' GLY . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . -81.42 -17.66 70.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.77 -14.83 59.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.8 t -112.84 -11.62 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.29 44.61 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -169.87 -42.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.517 HG22 HD12 ' A' ' 32' ' ' LEU . 43.5 m -64.56 -44.92 89.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -37.05 84.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.046 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -17.83 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -109.07 -26.11 10.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.517 HD12 HG22 ' A' ' 28' ' ' THR . 75.0 mt -99.75 24.01 8.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.1 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.98 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.06 -26.63 58.69 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.556 1.16 . . . . 0.0 111.023 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -73.15 -17.97 61.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 0.782 . . . . 0.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.84 -28.35 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -74.14 -56.78 4.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.56 -45.25 2.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.9 m -57.91 -48.16 80.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 26' ' ' ALA . 9.3 t80 -68.88 -33.77 74.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -61.97 -13.84 29.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.25 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -110.04 -43.23 4.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.4 mt -56.05 -39.82 72.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.986 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.85 -58.0 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -69.94 -16.84 63.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 t -89.76 -18.7 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.68 -44.3 9.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -61.73 -58.81 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 29' ' ' TYR . 3.9 t -39.53 -46.04 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.413 ' N ' ' CG2' ' A' ' 28' ' ' THR . 4.3 m-85 -63.91 -42.15 97.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -55.28 -18.82 6.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.49 -47.28 3.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -50.97 -33.2 23.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.8 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.2 tp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.29 -43.19 97.45 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.448 1.093 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -71.4 -16.76 62.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.8 t -96.94 -20.92 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . -70.93 -60.78 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -48.83 56.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.584 ' O ' HD12 ' A' ' 32' ' ' LEU . 16.9 m -45.31 -58.05 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -63.18 -37.1 85.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -17.35 17.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.86 -31.99 7.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 28' ' ' THR . 2.4 mp -96.7 23.2 7.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.997 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.93 -20.82 62.76 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -21.7 62.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.612 ' O ' HG22 ' A' ' 28' ' ' THR . 94.0 t -86.14 -22.55 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.15 -45.96 11.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' GLN . 11.1 mtmt -56.82 -50.46 72.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 25' ' ' VAL . 6.6 t -46.2 -26.36 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.395 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -90.61 -32.37 16.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 27' ' ' LYS . 5.9 tm0? -67.69 -8.96 39.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -110.09 -39.82 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -16.42 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.522 0.201 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.5 t -128.95 88.97 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.8 107.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.01 61.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 51.78 75.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.2 ptm -152.15 48.23 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -167.36 60.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -173.79 101.18 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.8 ptt85 -176.08 46.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.28 32.87 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 43.57 73.39 0.95 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 108.306 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -54.69 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -166.96 -43.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 72.45 27.31 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t 75.71 -57.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -131.07 73.2 1.53 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.117 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.67 -65.32 1.51 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -171.45 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.429 1.752 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.551 ' O ' HG22 ' A' ' 19' ' ' THR . 54.7 m 62.6 31.58 16.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -120.0 68.91 0.38 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 72.98 88.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 0.814 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 tt -137.42 -61.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.86 -26.37 4.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -43.04 69.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.0 t -73.34 -17.2 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.8 49.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.63 -54.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -55.09 -53.35 57.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -63.68 -31.35 72.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -56.33 -18.39 10.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -109.44 -34.12 6.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.3 mt -95.45 22.87 6.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.155 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -71.59 -52.92 15.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -139.04 87.28 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 36' ' ' GLY . 47.4 mm -82.5 -96.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.486 ' N ' HG22 ' A' ' 35' ' ' ILE . . . 164.46 -55.47 0.27 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -95.61 54.54 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.9 p -43.46 150.98 0.48 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.305 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 131.87 14.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.555 1.818 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.65 -31.13 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -71.2 -57.67 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 63.31 113.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 43' ' ' THR . 21.4 m 63.38 64.39 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.9 -24.04 10.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.81 -158.86 23.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.908 ' HG2' ' OXT' ' A' ' 49' ' ' SER . 18.4 Cg_endo -75.01 160.37 40.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -33.7 76.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.758 ' O ' ' OXT' ' A' ' 49' ' ' SER . 31.7 p -135.79 147.88 48.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 108.262 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.908 ' OXT' ' HG2' ' A' ' 46' ' ' PRO . 94.3 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 1.0 109.972 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.498 0.19 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.668 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 7.7 p -106.26 52.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 2' ' ' VAL . . . 82.17 133.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.11 72.69 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.07 -59.87 4.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.6 ttt 63.14 79.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 tp -145.59 63.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 53.61 62.73 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.77 59.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 m -152.62 -58.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.1 m -81.83 150.58 66.05 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.321 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -169.19 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 84.3 t -90.4 -15.35 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 1.3 tt 87.03 -48.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 3.9 t 80.31 -55.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' C ' HD22 ' A' ' 14' ' ' LEU . 3.9 mt-30 -106.73 61.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.55 -76.29 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.22 14.89 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.9 p 40.2 86.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.05 57.93 0.41 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 47.15 79.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.732 HD13 ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -61.62 -58.13 9.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.732 ' N ' HD13 ' A' ' 22' ' ' LEU . . . -43.17 -37.25 3.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -42.95 73.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' LEU . 76.4 t -75.31 -15.84 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . -71.77 -62.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.34 -56.28 6.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.679 HG22 HD12 ' A' ' 32' ' ' LEU . 20.8 m -40.43 -58.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.77 -41.0 88.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -50.8 -21.93 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.86 -49.24 3.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.679 HD12 HG22 ' A' ' 28' ' ' THR . 1.0 OUTLIER -51.58 -31.49 24.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -44.88 -31.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.82 95.77 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.466 HG23 ' HA ' ' A' ' 32' ' ' LEU . 44.9 pt -105.47 -30.36 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.94 79.48 1.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.5 -27.42 10.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 0.746 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.52 149.77 0.37 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.325 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -66.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.814 ' O ' HD12 ' A' ' 41' ' ' LEU . 13.8 mt 41.09 45.62 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.814 HD12 ' O ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER 83.17 -52.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 41' ' ' LEU . . . 71.04 -62.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 42' ' ' ALA . 2.3 t -177.59 51.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.371 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -160.56 39.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.43 -76.51 0.97 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 56.69 4.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 p 39.13 63.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.65 127.35 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 108.278 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 109.967 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.518 0.199 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.425 HG23 ' N ' ' A' ' 3' ' ' ALA . 9.9 m -87.82 -155.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.425 ' N ' HG23 ' A' ' 2' ' ' VAL . . . -167.0 123.31 1.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.19 73.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.5 -70.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.797 ' O ' HD12 ' A' ' 7' ' ' LEU . 7.4 ttm 47.94 57.79 5.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 6' ' ' MET . 0.3 OUTLIER 87.71 -45.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER 81.03 -54.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.02 -47.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.38 47.2 9.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.44 150.46 97.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 108.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HB2' HD12 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.96 -12.24 21.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.567 ' O ' HG12 ' A' ' 13' ' ' VAL . 46.0 t 61.41 35.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.446 HD12 ' HB2' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -65.95 -40.58 91.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.2 p 49.4 91.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 73.66 86.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.93 -77.32 0.85 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -169.77 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.478 1.778 . . . . 0.0 111.058 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 p -139.29 -52.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.36 -54.18 0.65 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.541 1.15 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.39 71.81 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.747 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.58 -64.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.15 -27.77 32.07 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -41.49 75.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.7 t -74.73 -9.35 12.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.27 45.72 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.06 -42.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.564 HG22 ' CD1' ' A' ' 32' ' ' LEU . 79.1 m -64.36 -46.15 84.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.4 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -63.79 -39.61 94.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -60.1 -14.86 18.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.76 -44.53 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' CD1' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -54.43 -23.38 15.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.86 -44.96 12.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -85.38 63.27 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.8 pt -109.28 -31.16 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 153.13 -107.32 0.32 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 166.57 -30.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.98 87.85 5.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 108.266 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 81.94 2.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.463 ' O ' HG22 ' A' ' 43' ' ' THR . 1.4 pp -91.57 -32.12 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 pp -86.04 -38.75 17.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.85 64.0 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 40' ' ' ILE . 6.7 t -170.84 57.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.45 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.52 -58.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.55 -171.88 28.8 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 134.36 17.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 t -64.18 132.85 51.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.424 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.38 125.23 32.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 108.286 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 1.0 109.956 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.504 0.193 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.0 t -103.57 70.57 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -160.55 76.39 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.89 66.24 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.514 ' HB1' HD12 ' A' ' 7' ' ' LEU . . . -178.9 95.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.8 38.7 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.514 HD12 ' HB1' ' A' ' 5' ' ' ALA . 1.8 mt -85.47 -58.01 2.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mt 68.43 68.66 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -158.02 -44.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.08 44.46 29.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.023 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 47.06 90.64 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 108.233 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 83.09 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.1 p -91.11 -32.08 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 69.94 51.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 p 41.45 73.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 67.65 80.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.86 -67.25 1.18 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.07 120.81 6.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 3.1 m 79.18 -53.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.402 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 45.33 65.75 1.78 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.4 mt 42.33 73.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 tp -117.59 -59.25 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.45 -32.5 81.3 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -69.73 -15.13 63.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 t -108.05 -11.01 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.26 47.52 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.69 -41.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 m -64.55 -38.6 91.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -65.85 -31.03 71.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.58 21.75 3.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -122.39 -39.81 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.04 16.75 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -113.73 -49.81 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.772 ' O ' HG23 ' A' ' 35' ' ' ILE . 31.9 p -81.86 61.83 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.772 HG23 ' O ' ' A' ' 34' ' ' SER . 1.2 pp -161.73 96.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.08 -78.18 0.24 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 165.79 -30.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.314 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.6 149.68 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.21 25.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.646 HD13 ' O ' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -175.02 -40.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.62 -62.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.04 87.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.1 t -70.0 -45.96 66.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.387 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -59.19 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.12 97.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 118.25 5.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 m -76.15 109.55 9.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.1 m 65.2 149.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.316 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 1.0 110.016 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.1 mmm . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.523 0.201 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 m -128.94 -156.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -158.83 -142.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.92 83.05 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.96 -60.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.36 60.06 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 65.05 87.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.6 55.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.88 38.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.54 48.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.35 150.44 97.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 108.273 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -65.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.435 1.755 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.553 ' O ' HG12 ' A' ' 13' ' ' VAL . 42.7 t 60.79 34.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.24 16.41 10.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -76.26 57.13 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -158.74 26.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -95.52 -71.67 1.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -169.74 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 p -137.81 -55.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.83 88.5 0.72 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -141.46 -71.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 109.246 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tt 78.73 -59.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.59 -30.74 77.57 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -73.32 -24.4 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.8 t -92.17 -15.98 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.76 -57.57 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.16 -28.61 18.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.7 m -68.77 -47.74 65.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -64.56 -40.76 96.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -17.62 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -109.28 -38.58 5.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -49.96 75.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -38.04 -49.23 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.3 m -140.81 83.12 1.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 36' ' ' GLY . 3.4 mt -64.45 -95.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' N ' HG22 ' A' ' 35' ' ' ILE . . . -135.5 156.22 22.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.23 -27.51 8.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.5 m 65.7 150.66 0.12 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 108.313 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LEU . 18.4 Cg_endo -74.95 -71.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.477 HG22 ' HG ' ' A' ' 41' ' ' LEU . 42.5 mt 69.95 -61.33 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.477 ' HG ' HG22 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -128.38 48.72 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -98.87 -62.54 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 43' ' ' THR . 22.2 m -149.23 65.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -175.76 -56.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.26 -66.57 1.03 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.97 29.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 p -58.29 163.39 3.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.86 148.26 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 108.292 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 1.0 109.956 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mtt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.464 0.173 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -82.22 155.46 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.62 99.98 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.54 -59.94 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 62.91 62.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.73 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 42.9 57.7 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 177.68 104.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.08 -48.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 42.22 36.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.027 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -68.8 150.56 97.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.24 27.48 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.86 -49.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.1 mp -91.69 -15.23 28.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.7 t 84.94 -48.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 75.26 72.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.56 -73.46 1.01 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 60.01 5.34 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 m -66.83 -62.27 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.4 98.24 0.12 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -149.46 69.97 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -170.19 -57.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.75 -18.87 40.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.576 1.172 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -72.18 -39.75 68.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.9 t -80.93 -19.5 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.75 -62.58 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -56.91 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.585 ' CG2' HD13 ' A' ' 32' ' ' LEU . 7.0 m -44.75 -58.06 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -60.87 -42.77 98.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.57 -22.04 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -109.65 -43.89 3.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.585 HD13 ' CG2' ' A' ' 28' ' ' THR . 0.0 OUTLIER -55.76 -38.33 69.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -44.58 -44.18 8.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.61 88.27 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.555 HG22 ' N ' ' A' ' 36' ' ' GLY . 29.1 mm -82.65 -97.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.555 ' N ' HG22 ' A' ' 35' ' ' ILE . . . -40.69 -68.57 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.56 1.162 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? 49.17 84.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.737 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.1 m 64.3 150.75 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.264 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 96.91 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.53 1.805 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.03 -37.93 81.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.58 -63.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -177.19 -63.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.0 -58.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.43 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 4.0 pt20 -176.69 65.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.67 -149.13 0.23 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 61.26 5.63 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.419 1.747 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.62 125.71 0.6 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.7 p -111.28 53.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.278 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 1.0 110.018 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 tmm? . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.501 0.191 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 p -165.75 155.17 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.19 72.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.256 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -177.38 75.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -175.74 -62.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.2 ttt 57.9 76.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 tp -159.44 82.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.71 97.76 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -160.79 -44.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.72 50.99 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -139.23 150.69 65.38 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 170.67 19.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.86 -48.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mt 68.63 53.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.2 m -79.42 58.2 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 67.82 63.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.73 -70.96 1.02 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 171.35 18.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 20' ' ' GLY . 7.2 t -138.06 -47.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.413 ' N ' ' CG2' ' A' ' 19' ' ' THR . . . 140.55 -58.61 0.58 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mp 69.51 62.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.56 -61.33 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.74 -37.83 92.98 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 111.061 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -69.78 -15.91 63.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.8 t -100.47 -33.99 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.6 -60.65 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.31 -53.26 17.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -45.41 -59.6 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -61.88 -42.75 99.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -51.78 -21.32 2.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.471 ' CD2' HD13 ' A' ' 35' ' ' ILE . 8.9 t80 -109.66 -45.93 3.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.43 HD22 HD11 ' A' ' 35' ' ' ILE . 0.6 OUTLIER -53.94 -36.7 63.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -43.12 -57.35 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.9 p -140.67 82.92 1.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.471 HD13 ' CD2' ' A' ' 31' ' ' PHE . 19.5 mm -61.48 -95.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.458 ' N ' HG22 ' A' ' 35' ' ' ILE . . . 147.37 118.48 1.05 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.27 74.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 70.6 m -85.69 150.44 53.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.272 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 87.23 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.0 tt -85.95 8.67 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 68.78 51.04 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -159.05 -60.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.9 t -66.47 -45.63 79.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.452 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -105.72 -57.48 2.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.76 157.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 112.86 3.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 m -156.83 -60.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 54.24 78.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 108.289 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.2 m . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 109.971 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mmm . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.508 0.194 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.68 147.45 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.77 -138.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.58 -61.95 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -174.15 -57.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.502 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.11 -50.76 71.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.633 HD23 ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER 87.99 -45.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.633 ' CD1' HD23 ' A' ' 7' ' ' LEU . 2.0 mp -158.83 -105.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.34 34.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.2 m -161.97 37.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -153.84 77.95 5.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 108.302 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.47 30.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 77.2 t -144.47 -49.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 65.06 42.94 3.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.26 -57.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -157.69 -46.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.253 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.09 -58.51 0.2 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.537 ' CB ' HD13 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.0 -38.96 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.448 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 3.1 m 79.1 -53.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.42 -91.36 0.4 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.537 HD13 ' CB ' ' A' ' 18' ' ' PRO . 0.8 OUTLIER 69.73 58.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.06 76.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.18 -51.11 0.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -19.78 61.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.76 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.0 t -90.56 -16.4 8.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.88 -56.56 5.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -51.79 -55.06 22.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -41.65 -60.52 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -57.48 -45.04 85.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -18.62 6.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -108.59 -19.76 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mp -103.03 19.65 19.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -89.8 -39.52 13.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.7 p -142.81 89.11 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.0 pt -109.05 -30.7 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.64 93.42 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -152.64 67.98 0.83 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 0.754 . . . . 0.0 110.306 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.5 m 63.31 150.44 0.11 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 108.286 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 104.59 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.57 -39.4 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 1.2 mt -54.66 -69.4 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 41' ' ' LEU . . . 179.06 -65.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 44' ' ' GLN . 4.0 t -176.42 -51.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.457 ' N ' HG23 ' A' ' 43' ' ' THR . 2.1 tt0 -177.91 82.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.47 -72.69 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -177.97 3.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.498 1.789 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.5 m 63.27 -82.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.422 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.0 p -78.25 141.97 38.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 108.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 1.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.573 ' O ' HG12 ' A' ' 2' ' ' VAL . 2.4 mmt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.481 0.181 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 1' ' ' MET . 9.1 p 45.98 32.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 43.31 87.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.98 61.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -178.1 62.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -179.64 78.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -90.44 -63.1 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 7' ' ' LEU . 1.1 mp -154.94 65.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -162.53 61.7 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 t -133.33 -46.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 62.07 147.58 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 108.259 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -171.07 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.3 t -147.71 -54.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 17' ' ' GLY . 1.9 mp -67.41 -46.53 72.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 t 77.16 -57.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -78.32 -95.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.6 1.187 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.462 ' O ' HD23 ' A' ' 14' ' ' LEU . . . -178.76 -62.21 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.566 1.166 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.94 19.31 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 p -137.11 -47.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.06 -35.54 0.41 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.12 . . . . 0.0 111.061 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp -90.32 49.77 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -152.32 -51.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.68 -29.4 52.36 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -72.31 -35.04 68.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 0.793 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -80.49 -18.91 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.27 -60.13 2.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -53.36 -57.34 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -42.1 -58.9 1.94 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.375 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.58 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 5.0 m-85 -62.42 -37.17 84.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -74.1 -4.19 34.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -108.57 -29.75 8.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.13 24.53 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 29' ' ' TYR . 3.0 m-85 -121.88 15.85 10.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -165.18 64.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.973 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 pt -106.07 -31.1 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.12 69.91 0.95 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.76 87.34 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 0.76 . . . . 0.0 110.268 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.9 m -41.75 101.77 0.25 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 85.48 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.549 1.815 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.4 pt -73.6 -34.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.847 HD12 HG22 ' A' ' 43' ' ' THR . 0.2 OUTLIER -53.16 -49.56 66.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 63.47 75.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.847 HG22 HD12 ' A' ' 41' ' ' LEU . 4.6 t -162.42 49.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.33 -69.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -37.53 98.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 96.79 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.468 1.772 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.8 t -136.57 150.02 48.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.804 ' O ' ' OXT' ' A' ' 49' ' ' SER . 14.8 m 62.08 115.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.804 ' OXT' ' O ' ' A' ' 48' ' ' CYS . 91.1 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 1.0 110.024 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.52 0.2 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.9 p -106.65 149.4 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.25 99.14 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.92 70.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -157.63 -69.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 38.89 54.6 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 7' ' ' LEU . 4.3 mm? -62.18 -81.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mt 41.62 76.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.08 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.71 47.52 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -74.17 -53.98 3.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.298 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -75.01 67.28 5.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.7 p -90.47 -26.22 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.33 62.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 t -98.37 66.42 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 67.58 65.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.21 -61.71 1.88 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -176.46 2.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.3 t -154.73 -44.9 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.54 51.31 4.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.772 HD12 ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -137.26 15.03 3.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.793 HD23 ' H ' ' A' ' 23' ' ' GLY . 0.2 OUTLIER -170.87 -44.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.793 ' H ' HD23 ' A' ' 22' ' ' LEU . . . -57.49 -31.04 62.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -41.55 72.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.32 -18.9 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.87 -57.17 3.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.77 -58.98 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.2 m -41.79 -59.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -58.19 -39.78 79.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -74.72 -2.92 28.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.401 ' O ' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -109.88 -25.2 10.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.4 mt -101.45 24.83 9.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -106.35 -51.38 2.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 35' ' ' ILE . 17.6 t -84.39 -61.69 1.74 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 34' ' ' SER . 22.7 pt 43.76 93.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.36 168.96 0.44 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 52.77 88.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 110.264 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.57 94.84 1.2 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 108.327 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 107.2 2.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 41' ' ' LEU . 2.7 mp -56.24 -86.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -95.31 57.75 2.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 41' ' ' LEU . . . 72.37 -63.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.7 p -123.94 -49.05 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.23 -41.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.08 93.14 0.11 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 77.53 3.09 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.0 m 49.24 85.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.777 ' O ' ' OXT' ' A' ' 49' ' ' SER . 87.7 m 61.75 116.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 108.298 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.777 ' OXT' ' O ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.955 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.53 0.205 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.2 t 63.79 143.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.86 129.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.02 61.77 0.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.53 -61.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.1 ttp 43.97 63.28 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 40.52 50.87 2.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -154.16 90.34 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -176.22 52.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.52 -56.92 2.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 66.1 m 43.27 87.86 0.11 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 108.329 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.51 33.21 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.4 t -91.9 -35.98 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mp 68.32 59.88 0.41 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.65 57.75 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -162.67 39.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.93 -66.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.69 17.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.554 1.818 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.4 m -80.86 -60.36 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.605 ' C ' HD23 ' A' ' 21' ' ' LEU . . . 148.4 108.82 0.51 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.605 HD23 ' C ' ' A' ' 20' ' ' GLY . 1.0 OUTLIER 40.6 67.24 0.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tt -123.05 -58.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.65 -30.06 42.17 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -15.2 61.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -107.71 -32.24 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.51 51.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.21 -42.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.9 m -71.25 -44.72 64.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -66.18 -38.53 88.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -19.15 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.408 ' O ' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -109.49 -43.99 3.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -17.86 19.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -72.23 -42.65 65.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 35' ' ' ILE . 0.2 OUTLIER -86.14 -94.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.968 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 34' ' ' SER . 22.6 pt 43.85 93.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.04 142.73 9.8 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 38' ' ' CYS . 74.6 mtm-85 -113.17 -29.7 7.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER 162.39 -54.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.4 Cg_endo -74.94 102.7 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.4 tp -141.75 -47.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -168.68 63.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -177.49 64.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.45 HG23 ' N ' ' A' ' 44' ' ' GLN . 8.3 t -73.9 -50.0 22.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' N ' HG23 ' A' ' 43' ' ' THR . 0.3 OUTLIER 174.07 42.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.51 -171.49 26.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -47.6 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.1 p 45.0 -163.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.7 m -152.57 -62.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 108.317 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 1.0 109.995 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.522 0.201 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.5 t 62.72 125.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.82 -138.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 65.08 77.04 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.93 87.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -23.42 35.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp 40.93 69.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 tt -160.28 86.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.39 -50.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t 49.82 42.81 24.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.3 149.8 3.29 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 108.315 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -65.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.77 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 p -168.52 -43.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt 68.61 49.49 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.5 t 76.7 -58.17 0.52 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.976 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -166.26 -49.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.358 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.01 -59.36 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -41.37 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.7 m -90.93 32.19 1.02 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.366 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.0 -55.4 2.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.3 mt -94.02 53.74 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.815 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -117.58 -54.67 2.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' HD13 ' A' ' 22' ' ' LEU . . . -61.06 -24.37 62.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -74.85 -16.74 60.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.29 -16.27 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.52 -64.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' GLN . 18.6 pttt -50.22 -47.33 54.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.428 ' N ' ' CG ' ' A' ' 27' ' ' LYS . 6.7 t -44.14 -42.04 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -65.49 -35.77 81.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 27' ' ' LYS . 1.6 tt0 -98.85 22.22 10.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -118.46 -42.59 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.437 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 6.1 mt -67.99 -24.34 65.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -93.96 15.56 16.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -155.19 97.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 34' ' ' SER . 0.1 OUTLIER -153.66 94.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 114.13 -83.65 0.34 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.34 99.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 110.36 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 63.4 m 60.51 95.18 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 108.332 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.8 41.25 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.542 HD12 ' CG2' ' A' ' 43' ' ' THR . 1.4 mp -88.69 45.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 71.43 53.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 61.62 88.28 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.542 ' CG2' HD12 ' A' ' 40' ' ' ILE . 15.6 p -53.03 -30.18 34.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.421 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -179.61 36.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.313 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' GLN . . . 37.7 83.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.72 2.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -108.99 157.46 18.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 86.7 m -116.8 109.71 17.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 108.286 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtp . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.531 0.205 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.9 m -141.24 155.43 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 44.64 90.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.692 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -91.43 50.6 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 4' ' ' ALA . . . 85.09 -48.67 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 tmm? 38.62 56.26 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.662 HD13 ' HB1' ' A' ' 5' ' ' ALA . 5.7 mp -81.96 -67.11 0.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.2 96.53 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -146.22 55.02 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.04 -57.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.1 m -69.68 150.46 96.7 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 108.342 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 165.2 31.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.968 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.62 -47.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.34 55.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.85 51.62 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 61.24 68.1 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.09 -75.8 0.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.38 22.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.478 ' O ' HG22 ' A' ' 19' ' ' THR . 99.1 m 45.96 31.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.85 46.27 3.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mp -96.12 54.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 0.0 109.253 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -141.72 -64.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.7 -18.55 11.19 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.691 ' O ' HG21 ' A' ' 28' ' ' THR . 2.6 tttp -69.72 -8.26 46.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 0.735 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.461 ' CA ' ' OG1' ' A' ' 28' ' ' THR . 40.8 t -124.07 -41.75 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.47 -65.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -47.78 75.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.691 HG21 ' O ' ' A' ' 24' ' ' LYS . 2.1 p -47.22 -33.69 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -80.56 -38.75 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -62.74 -13.16 29.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -109.08 -24.48 11.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 28' ' ' THR . 10.2 mt -93.36 19.79 7.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -123.17 -52.14 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.32 55.41 1.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 32' ' ' LEU . 54.5 mt -111.02 -30.94 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.89 77.06 1.08 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -73.16 -92.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -60.91 -53.99 58.73 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.1 Cg_endo -75.01 89.6 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.9 tt -76.59 -39.37 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -151.87 77.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 41' ' ' LEU . . . 71.43 -63.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.9 m 69.55 -61.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.77 55.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.97 -174.42 48.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -55.62 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.533 1.807 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 m -150.04 -59.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.415 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.1 m 67.52 73.6 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 108.374 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 1.0 110.013 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.514 0.197 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.668 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 5.1 m 40.42 -159.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 2' ' ' VAL . . . 83.13 67.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 3' ' ' ALA . . . 176.54 66.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -175.24 -64.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.848 ' C ' HD23 ' A' ' 7' ' ' LEU . 8.9 ptp -175.94 45.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.848 HD23 ' C ' ' A' ' 6' ' ' MET . 0.6 OUTLIER 40.64 49.53 2.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 5.1 tp 86.96 -56.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 10' ' ' SER . 3.5 mmt180 -151.7 -71.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.555 ' OG ' HD11 ' A' ' 7' ' ' LEU . 0.1 OUTLIER 81.82 -5.04 1.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.003 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 p -88.87 150.81 46.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.245 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.412 ' O ' HG23 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.0 -60.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.435 1.755 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 12' ' ' PRO . 64.2 t -153.68 -75.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -160.79 51.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.5 p 83.55 -51.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -165.61 -72.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.4 -64.31 0.08 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.01 -165.88 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 1.8 m 82.02 111.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 142.15 81.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -147.04 81.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.928 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -103.59 -21.53 13.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.911 ' N ' HD13 ' A' ' 22' ' ' LEU . . . -62.54 -24.35 65.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -75.14 -36.78 61.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.9 t -82.48 -16.38 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.94 -50.12 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -57.15 -53.14 61.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -43.98 -30.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.54 -33.05 16.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -68.26 -8.36 38.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.24 -29.14 7.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.62 20.83 9.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -111.19 -42.78 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 90.8 p -92.74 62.06 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.4 pt -109.73 -27.17 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.03 118.21 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.158 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -28.57 19.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 67.49 78.36 0.24 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 108.32 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 85.31 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 tt -47.28 -38.98 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.511 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -50.38 -69.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 41' ' ' LEU . . . 72.61 -62.66 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.0 p 45.76 51.72 10.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.392 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -170.13 32.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.23 158.66 19.45 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.54 3.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.3 m 63.78 139.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.08 -36.23 8.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 108.286 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 110.028 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.463 0.173 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.5 t -70.26 129.53 34.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -158.93 -142.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.28 -70.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 40.59 73.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 24.6 ttm -57.92 -62.02 2.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.678 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -173.88 -67.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -174.75 -68.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' A' ' 10' ' ' SER . 4.4 ptp85 -176.22 -53.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER 87.36 -37.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.047 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 m 63.24 150.68 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.32 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -168.13 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 98.5 t -71.01 -50.58 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.35 -64.74 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.5 t 56.74 64.68 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.85 -81.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.87 -61.91 0.07 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -169.78 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.7 m -137.38 23.54 2.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 144.32 47.28 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mt 47.48 85.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.49 -51.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.31 -23.45 70.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.05 -16.59 54.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.1 t -101.02 -15.85 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.45 -59.32 2.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' GLN . 17.6 mmtt -54.11 -55.04 31.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -41.83 -38.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.378 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -68.72 -41.32 79.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LYS . 7.5 tt0 -46.94 -24.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -109.68 -42.91 4.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.429 ' HA ' ' CG2' ' A' ' 35' ' ' ILE . 0.2 OUTLIER -56.45 -35.84 68.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -47.17 -26.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.16 94.18 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.429 ' CG2' ' HA ' ' A' ' 32' ' ' LEU . 36.2 pt -108.16 -31.2 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 160.58 162.95 13.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.69 52.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.491 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -68.34 -54.1 15.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.276 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.2 Cg_endo -75.01 121.56 6.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.502 1.79 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.2 mm -116.93 -88.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.244 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.1 -60.15 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.85 -67.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 t -175.19 -38.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.356 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -178.03 62.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.64 178.75 38.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 171.18 18.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.411 ' H ' HG23 ' A' ' 47' ' ' THR . 62.6 p -42.91 163.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 m 58.38 77.25 0.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.575 1.172 . . . . 0.0 108.296 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 1.0 110.008 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.472 0.177 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.651 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 7.8 p -129.54 149.61 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 2' ' ' VAL . . . 80.7 122.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -155.58 62.1 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.56 -60.76 3.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.4 tpt 59.26 56.24 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mt -91.53 46.55 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 tp -80.7 54.43 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -175.96 48.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -166.87 -58.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -72.46 150.33 91.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 108.27 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.73 42.66 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.528 HG12 HD12 ' A' ' 14' ' ' LEU . 10.9 t -74.76 -48.46 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.528 HD12 HG12 ' A' ' 13' ' ' VAL . 1.2 mp -141.48 -48.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 p 74.22 32.07 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -106.69 17.43 23.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.95 -67.96 1.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.01 179.39 6.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.444 1.76 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.435 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 3.1 m 79.19 -53.61 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.428 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.46 -44.3 34.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 76.41 91.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.332 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.25 -60.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.69 -22.64 47.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -40.78 64.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.8 t -77.81 -18.02 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.66 -59.6 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.26 -55.55 3.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.425 HG22 HD12 ' A' ' 32' ' ' LEU . 18.5 m -45.01 -56.61 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -63.91 -40.08 95.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' HA ' ' OE1' ' A' ' 30' ' ' GLN . 4.2 tp-100 -61.9 -13.88 28.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.63 -42.32 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD12 HG22 ' A' ' 28' ' ' THR . 0.2 OUTLIER -58.15 -43.46 87.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -52.14 -44.36 64.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -67.12 -56.02 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.055 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 36' ' ' GLY . 20.2 mt -48.15 -94.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.432 ' N ' HG22 ' A' ' 35' ' ' ILE . . . 76.92 -94.78 1.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -151.57 83.32 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.6 p -117.89 150.59 47.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.152 . . . . 0.0 108.27 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' ILE . 18.1 Cg_endo -75.03 -65.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 40' ' ' ILE . 26.0 mm 40.53 35.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 mp 60.61 66.67 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -173.93 77.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.7 p -137.94 -56.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.376 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -174.44 83.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.263 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.83 171.1 25.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.98 34.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -98.66 124.8 43.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.352 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.2 m 62.45 150.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 108.284 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.7 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 1.0 109.994 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.456 0.17 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.644 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 91.3 t -106.18 145.56 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 2' ' ' VAL . . . 79.7 136.75 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -86.63 -61.76 1.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 4' ' ' ALA . . . 74.21 97.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.2 mmt 60.65 78.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -51.81 64.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tt -168.03 90.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 10' ' ' SER . 7.6 mtm180 -145.74 -78.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER 82.58 -6.22 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.0 p -99.52 151.07 37.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.329 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 166.39 29.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.72 -32.73 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.75 37.33 1.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.5 t -74.87 57.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 45.69 76.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.73 -78.82 0.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.65 5.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 t -88.74 -29.22 19.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.4 75.84 1.2 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mt -94.49 53.1 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -165.3 -63.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.41 -31.06 13.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.105 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -71.24 -40.16 71.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 0.787 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -78.08 -22.2 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.17 -62.46 1.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.09 -57.67 4.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -42.88 -59.0 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -59.92 -29.57 68.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.18 18.8 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -123.8 -40.11 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -92.54 22.91 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -110.64 -57.56 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -99.28 60.16 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' ' 35' ' ' ILE . 4.7 mp -61.73 -20.33 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.96 -124.68 5.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -113.18 -29.6 7.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.496 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER 163.82 -54.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 108.316 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.3 Cg_endo -75.03 147.63 34.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.7 mm -81.92 -37.49 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -164.17 55.66 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 39' ' ' PRO . . . -176.99 95.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.8 t -102.78 -35.16 8.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.431 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.42 74.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.59 -150.88 6.07 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.69 41.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 p -75.21 -24.07 57.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.9 m 64.97 134.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 108.271 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 1.0 110.02 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.517 0.198 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 73.6 t -132.24 103.18 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 43.91 83.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.82 85.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -169.71 -61.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.51 83.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 111.04 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -64.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp 44.27 88.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -146.63 34.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.59 32.79 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.9 m -85.52 150.69 54.55 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 108.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 171.69 17.81 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 14' ' ' LEU . 4.3 p -145.52 -50.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -143.41 -71.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.6 t 45.69 83.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 66.45 86.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -96.32 -72.44 1.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 115.37 4.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.555 1.818 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.1 p -70.58 -57.01 5.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.425 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.58 90.24 0.08 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.3 mp -96.53 54.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 0.804 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 tt -156.99 99.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.29 -60.6 0.66 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -24.44 61.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.8 t -86.66 -17.94 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.97 -37.29 9.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -71.44 -33.41 69.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -64.87 -19.59 65.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.66 ' CE1' ' CD1' ' A' ' 33' ' ' PHE . 29.6 t80 -95.0 -34.1 12.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -18.75 13.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -106.22 -37.32 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -17.66 58.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.66 ' CD1' ' CE1' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -91.09 6.18 45.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.93 61.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.964 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 36' ' ' GLY . 72.7 mt -135.3 -94.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.442 ' N ' HG22 ' A' ' 35' ' ' ILE . . . 161.16 -167.01 35.95 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 38' ' ' CYS . 1.7 mtt180 164.47 -29.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER 162.87 -54.03 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.294 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.3 Cg_endo -74.98 102.41 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.547 1.814 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 41' ' ' LEU . 5.1 mt -85.4 -87.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' N ' HG22 ' A' ' 40' ' ' ILE . 7.0 tp -58.21 -59.3 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -169.97 -62.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 m -157.04 -60.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.398 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 1.034 ' O ' ' OXT' ' A' ' 49' ' ' SER . 57.5 tt0 -177.12 64.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.33 -161.68 12.73 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -56.65 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.6 m -151.09 105.0 3.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.417 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 t 62.17 149.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.298 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 1.034 ' OXT' ' O ' ' A' ' 44' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 1.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mtt . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.507 0.194 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.51 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 11.4 p -106.57 43.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 2' ' ' VAL . . . 175.26 86.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.83 -65.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.26 89.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -74.88 -58.39 3.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.37 -68.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tp -170.95 -67.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.49 -51.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.64 44.18 3.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.69 80.64 0.56 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 108.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -66.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.777 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.3 t -144.51 -59.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tp -137.53 -58.58 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.532 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 3.7 t 77.65 -57.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -164.71 92.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -105.11 -74.39 0.95 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -175.51 2.39 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.0 m -67.94 -61.44 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.1 111.81 3.6 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 mt -152.62 71.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.67 -66.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.44 -26.02 69.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -27.95 62.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 0.774 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.5 t -79.81 -19.98 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.4 -60.9 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -51.29 -54.31 27.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.649 HG22 HD12 ' A' ' 32' ' ' LEU . 80.8 m -42.35 -60.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -63.36 -40.86 98.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -20.94 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.39 -51.62 2.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 28' ' ' THR . 0.5 OUTLIER -50.19 -30.29 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -44.86 -39.82 5.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 t -148.66 93.81 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.3 pt -108.91 -26.74 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -127.64 -136.11 4.22 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 mtm-85 -109.94 -25.17 10.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.786 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 176.94 66.59 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.267 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 100.92 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.453 1.765 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mm -58.39 -90.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.5 tp -114.07 55.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 47.68 55.9 7.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.475 ' O ' HG22 ' A' ' 43' ' ' THR . 52.8 m 60.18 50.29 6.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.426 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.17 27.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.45 -171.08 4.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.103 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.53 30.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 t -75.14 -35.94 61.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.369 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.4 m 62.73 149.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 108.268 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 1.0 109.967 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.514 0.197 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.2 m -137.01 60.26 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -179.29 132.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.69 64.81 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.87 -61.61 2.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.34 79.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.93 -70.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp 44.78 85.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 10' ' ' SER . 3.4 mmt180 -152.7 -72.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER 84.47 -8.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t 57.07 87.13 0.15 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 108.297 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -22.25 14.98 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 9.3 p -91.83 -16.4 7.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER 87.06 -48.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.9 t 44.25 79.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.42 -46.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.21 -63.27 1.74 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -74.99 -89.37 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 3.1 m 79.15 -53.61 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.8 -45.07 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.427 HD11 ' HB3' ' A' ' 18' ' ' PRO . 11.3 mt 67.32 96.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.84 -33.05 73.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.513 ' O ' ' HB3' ' A' ' 26' ' ' ALA . . . -56.41 -17.46 18.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.413 1.071 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.898 ' O ' HG23 ' A' ' 28' ' ' THR . 2.1 tppt? -69.83 -44.62 69.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 25' ' ' VAL . 79.3 t -77.39 -1.2 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.28 -67.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -53.67 -44.75 69.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.333 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.898 HG23 ' O ' ' A' ' 24' ' ' LYS . 23.4 p -38.76 -46.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -65.63 -44.55 86.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' LYS . 2.9 mt-30 -53.37 -20.04 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.487 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 1.4 t80 -109.32 -22.75 11.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.544 HD22 HD11 ' A' ' 35' ' ' ILE . 4.1 mm? -95.56 17.66 14.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -91.11 -20.03 22.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 m -154.24 -45.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.625 ' O ' HG22 ' A' ' 35' ' ' ILE . 3.6 mm 67.36 15.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.48 69.57 1.41 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -150.68 84.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.4 p -143.56 150.66 51.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 108.271 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 122.1 6.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.1 pt -87.55 65.88 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 mp 70.07 63.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.94 63.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.0 t -77.5 -45.97 23.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -149.66 -59.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 117.93 -70.74 0.3 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 169.52 22.44 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.568 1.825 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.4 p -120.47 113.04 19.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 110.41 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 64.69 66.32 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 108.304 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 110.006 179.966 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.516 0.198 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.8 p -164.76 144.72 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.74 131.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.99 -58.78 3.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.66 -59.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -150.59 -56.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.02 -66.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pp -173.76 79.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -148.31 31.91 0.82 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.54 31.5 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.58 149.73 36.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.89 30.79 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.433 1.754 . . . . 0.0 111.003 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' HG12 ' A' ' 13' ' ' VAL . 38.9 t -92.04 35.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 59.92 71.42 0.58 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.76 -51.36 49.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.92 61.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.55 -75.62 0.2 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 169.42 22.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.571 1.827 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.1 p -144.72 85.25 1.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.71 53.43 1.1 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -141.25 79.41 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -175.94 -55.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.74 -9.99 63.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.91 -16.17 39.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.1 t -106.5 -23.1 4.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.06 -63.22 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -53.69 24.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.5 m -42.54 -59.02 2.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -61.65 -42.24 98.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -50.03 -22.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -109.46 -41.23 4.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -37.76 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -45.97 -47.71 16.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.85 81.05 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.003 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 36' ' ' GLY . 5.6 mm -54.97 -95.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.531 ' N ' HG22 ' A' ' 35' ' ' ILE . . . 71.36 86.16 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER 162.46 -29.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.1 m -127.24 150.74 73.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 108.346 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.462 ' CG ' HG22 ' A' ' 43' ' ' THR . 18.3 Cg_endo -74.98 131.29 14.15 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.482 1.78 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.875 HD13 ' O ' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -96.51 -26.09 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.0 tp -174.22 56.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -167.25 75.93 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.462 HG22 ' CG ' ' A' ' 39' ' ' PRO . 44.1 p -129.08 -45.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -165.53 -47.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -118.55 89.57 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -47.91 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.464 1.77 . . . . 0.0 111.054 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.1 m -84.76 -57.75 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.3 144.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 108.315 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.6 p . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 1.0 109.976 -179.95 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.524 0.202 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.678 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 6.3 p -130.48 155.79 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 2' ' ' VAL . . . 82.83 100.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -43.33 -64.96 0.55 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 61.69 91.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.04 84.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -61.16 -39.26 89.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.484 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER 86.94 104.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.87 -44.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.78 46.26 7.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.7 m 57.71 94.55 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 169.67 22.12 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.516 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 69.6 t -157.31 -45.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.516 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 4.1 tp 88.92 -42.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.7 t 58.32 104.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 39.64 80.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.405 ' HA3' HD23 ' A' ' 14' ' ' LEU . . . -87.79 -68.64 1.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 120.09 5.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.432 1.753 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -78.78 -62.09 1.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -174.56 73.26 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.681 HD23 ' H ' ' A' ' 21' ' ' LEU . 1.3 pt? -96.24 55.82 1.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' VAL . 5.6 tt -164.81 -58.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.28 -27.68 1.85 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -44.62 63.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 22' ' ' LEU . 84.2 t -76.44 -16.01 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -100.08 52.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.55 -54.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.0 m -57.49 -49.73 75.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -68.51 -41.14 80.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -54.6 -19.13 5.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -109.83 -39.85 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.493 HD13 HD11 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -58.02 -38.3 75.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -55.54 -60.23 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -98.81 68.51 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.493 HD11 HD13 ' A' ' 32' ' ' LEU . 27.3 mm -40.67 -30.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' SER . . . 100.79 88.97 2.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.28 25.83 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -74.48 -54.02 3.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 108.312 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.2 Cg_endo -75.01 -43.18 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.459 ' CG2' HD23 ' A' ' 41' ' ' LEU . 2.0 tp -40.93 -38.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.459 HD23 ' CG2' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -129.82 69.04 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.36 -64.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.8 t -162.25 -47.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -170.31 81.14 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.28 159.83 27.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 169.77 21.87 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.8 m -72.84 84.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.368 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -113.85 139.03 49.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 109.974 179.989 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.474 ' O ' HG12 ' A' ' 2' ' ' VAL . 26.3 mtm . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.487 0.184 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 1' ' ' MET . 10.7 p 43.87 32.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -158.9 -142.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -171.47 -59.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -170.13 55.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 39.16 57.35 2.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -169.36 79.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 mp -81.15 -68.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -176.13 43.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.9 38.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.6 p -143.36 66.89 16.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 108.306 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -65.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 4.3 p -174.49 -40.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.513 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER 88.66 -43.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.5 t 48.9 48.64 20.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -165.63 48.14 0.09 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -105.36 -76.62 1.07 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -64.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -159.49 -62.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.32 101.94 2.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.65 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -97.78 40.47 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -135.09 -65.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . -59.43 -21.65 54.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.14 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -72.92 -22.37 60.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.38 -30.4 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.03 55.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.2 OUTLIER -178.35 -41.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.5 m -75.13 -39.68 60.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -67.29 -38.79 85.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -13.08 25.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.41 -48.82 3.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.2 -31.52 53.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -45.34 -26.76 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.5 p -67.59 -94.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 pp -42.61 -30.9 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.47 ' O ' ' CD ' ' A' ' 37' ' ' ARG . . . 44.3 89.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CD ' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -172.66 94.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.316 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -167.0 68.59 0.96 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 108.274 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 82.07 2.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.781 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.8 pt -93.07 -31.48 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.76 -50.83 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.08 64.13 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.3 t -86.19 -29.69 23.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -155.49 60.18 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.76 -164.97 19.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.03 4.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 m -124.08 133.05 53.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.5 m -87.14 -62.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 108.253 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 1.0 110.024 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.526 0.203 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.727 HG13 ' N ' ' A' ' 3' ' ' ALA . 1.2 p -165.7 -157.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.727 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -158.83 -142.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.74 -60.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.52 89.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.4 ttt -152.35 68.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.429 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 1.5 mt -91.53 -54.23 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.429 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER 83.0 58.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -174.0 -42.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER 39.44 37.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' SER . 0.1 OUTLIER 62.0 147.62 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -169.75 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 14' ' ' LEU . 7.2 p -146.18 -47.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -66.16 -68.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 m 39.51 89.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.974 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 65.38 95.77 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -96.83 -71.35 1.06 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.8 13.89 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.4 m -136.76 -60.06 0.7 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.21 111.7 0.75 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.547 1.155 . . . . 0.0 111.052 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.54 77.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 tt -173.75 107.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.24 -59.76 0.53 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -29.11 66.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.2 t -80.5 -26.55 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -71.42 -63.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 -53.84 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -49.95 -44.26 50.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' ALA . 1.7 t80 -87.01 12.64 10.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.038 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -115.1 -6.8 12.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -107.62 -40.51 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.54 -28.96 68.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.13 -16.68 34.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.73 43.11 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.4 pt -107.74 -29.79 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.41 -125.74 2.98 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' O ' ' CB ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER 166.85 -30.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.491 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER 165.33 -54.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.276 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.3 Cg_endo -74.99 59.49 5.2 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.544 1.813 . . . . 0.0 111.008 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.2 pt -74.74 -24.42 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tp -110.64 -64.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.17 -61.79 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -173.54 -39.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -179.32 -40.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 142.9 96.96 0.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -37.17 2.12 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -39.54 147.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.372 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m 66.98 88.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 110.005 179.981 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.552 ' HG3' HG23 ' A' ' 2' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.497 0.189 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.668 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 68.4 t 60.92 150.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 2' ' ' VAL . . . 82.57 61.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.578 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -95.09 -51.59 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 4' ' ' ALA . . . 75.95 97.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.6 mtt -87.82 38.74 0.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -91.48 45.36 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -81.48 54.76 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -176.08 37.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.44 42.22 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.946 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -139.33 150.64 64.9 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 108.311 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.65 35.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.87 -47.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.33 54.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.9 t -76.07 56.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.458 ' CA ' ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -159.39 34.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -110.84 -74.59 0.76 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.12 9.29 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.3 p -136.79 -45.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.458 ' HA3' ' CA ' ' A' ' 16' ' ' GLN . . . -46.14 -58.07 5.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 70.05 97.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 0.785 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -59.79 -40.44 88.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.31 -35.97 56.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -70.11 -36.89 75.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.766 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.4 t -79.09 -21.76 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.96 -59.17 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.26 -58.4 6.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.45 HG22 HD12 ' A' ' 32' ' ' LEU . 8.2 m -39.61 -61.46 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -63.32 -43.39 97.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -56.04 -19.33 12.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -108.93 -18.59 13.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.45 HD12 HG22 ' A' ' 28' ' ' THR . 76.8 mt -104.59 17.84 23.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -83.44 -49.31 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.32 66.08 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 tt -64.59 -29.01 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -128.17 -133.47 3.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -153.31 54.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -179.96 68.17 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 108.259 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 99.64 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.435 1.755 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 40' ' ' ILE . 26.8 mt -127.4 44.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 41.93 63.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 47.89 94.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.6 m -49.45 -65.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 175.51 55.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.14 164.53 13.15 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.2 14.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.438 ' O ' ' CB ' ' A' ' 48' ' ' CYS . 7.1 m -105.31 75.79 1.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 47' ' ' THR . 0.1 OUTLIER 82.92 -62.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 108.292 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 110.015 -179.977 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.48 0.181 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.62 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 67.0 t -88.49 145.02 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 2' ' ' VAL . . . 79.66 136.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.66 87.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.26 -61.22 2.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.6 mmt 56.48 71.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp -89.63 -22.73 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp -81.48 55.28 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.89 44.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.26 48.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -68.35 150.65 97.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.14 8.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 111.061 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.42 HG13 HD23 ' A' ' 14' ' ' LEU . 13.1 p -163.66 -45.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD23 HG13 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -155.58 77.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -143.84 80.41 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 72.42 47.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.03 -76.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -49.8 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.5 p -145.56 85.42 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.71 69.17 0.32 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 mp 41.3 67.18 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -178.48 -38.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . -81.42 -17.66 70.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.77 -14.83 59.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.8 t -112.84 -11.62 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.29 44.61 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -169.87 -42.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.517 HG22 HD12 ' A' ' 32' ' ' LEU . 43.5 m -64.56 -44.92 89.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -37.05 84.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.046 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -17.83 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -109.07 -26.11 10.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.517 HD12 HG22 ' A' ' 28' ' ' THR . 75.0 mt -99.75 24.01 8.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -98.27 -33.52 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.8 p -67.08 -59.9 3.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -45.15 -92.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.89 -136.71 28.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -155.21 -44.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -42.67 -54.12 8.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 108.271 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.4 Cg_endo -74.99 -168.5 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.453 1.764 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.1 mm 46.25 46.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.1 tp -148.13 -64.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -175.04 70.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 t -90.61 -7.15 53.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -165.78 50.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.34 88.96 0.42 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.433 1.083 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.37 9.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.56 1.821 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.3 p -136.47 135.67 38.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.426 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.1 m 55.74 97.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 108.266 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 1.0 110.015 179.952 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ptt? . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.528 0.204 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 4' ' ' ALA . 35.6 m -130.9 155.24 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.9 75.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.705 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -102.49 60.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 4' ' ' ALA . . . 85.07 -48.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 46.95 65.35 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.63 HD23 ' HG2' ' A' ' 9' ' ' ARG . 13.2 tp -145.18 -50.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp 65.94 101.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.63 ' HG2' HD23 ' A' ' 7' ' ' LEU . 6.5 ptt180 -163.49 48.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.25 -50.76 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.8 m -67.26 150.4 97.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.315 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.76 10.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.596 ' O ' HG12 ' A' ' 13' ' ' VAL . 50.7 t 62.1 34.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.88 -63.24 0.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 t -163.66 -60.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.946 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -164.32 -46.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.69 -63.78 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.01 -15.27 20.8 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 3.1 m 79.16 -53.55 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.87 -57.33 0.31 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.567 1.167 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.03 58.2 2.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tp -144.13 -68.63 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.06 -26.63 58.69 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.556 1.16 . . . . 0.0 111.023 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -73.15 -17.97 61.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 0.782 . . . . 0.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.84 -28.35 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -74.14 -56.78 4.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.56 -45.25 2.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.9 m -57.91 -48.16 80.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 26' ' ' ALA . 9.3 t80 -68.88 -33.77 74.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -61.97 -13.84 29.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.25 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -110.04 -43.23 4.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.4 mt -56.05 -39.82 72.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -55.84 -34.15 65.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.75 60.49 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.6 tt -99.91 -31.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.61 125.15 7.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.31 87.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.252 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -97.88 150.35 36.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.278 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -167.67 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.786 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.2 mm 70.0 -61.34 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.496 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -83.31 -72.95 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 41' ' ' LEU . . . 71.14 -61.49 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 43' ' ' THR . 4.1 t -176.68 62.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.03 -70.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.91 157.78 34.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.48 41.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.1 t -82.78 127.76 33.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.449 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.98 118.19 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 1.0 110.013 -179.979 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.513 0.197 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.8 p -70.86 156.34 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 44.29 91.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.66 -56.38 7.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.4 -67.74 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -176.05 -62.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -162.42 -72.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp 50.2 79.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.87 90.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.97 -58.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 44.53 77.36 0.45 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 108.287 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 162.58 36.8 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.524 1.802 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.1 t -91.67 -49.15 13.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 76.73 50.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -57.49 3.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -140.39 63.15 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.85 -74.09 1.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -49.37 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.5 1.79 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.567 ' O ' HG22 ' A' ' 19' ' ' THR . 29.0 m 62.18 24.56 14.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.419 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.7 -66.74 0.71 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.75 -102.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 tt 44.85 90.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.85 -58.0 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -69.94 -16.84 63.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 t -89.76 -18.7 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.68 -44.3 9.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -61.73 -58.81 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 29' ' ' TYR . 3.9 t -39.53 -46.04 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.413 ' N ' ' CG2' ' A' ' 28' ' ' THR . 4.3 m-85 -63.91 -42.15 97.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -55.28 -18.82 6.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -109.49 -47.28 3.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -50.97 -33.2 23.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -54.99 -18.01 4.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.07 95.51 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.411 HG23 ' O ' ' A' ' 31' ' ' PHE . 1.1 pp -140.3 -47.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.59 170.01 28.96 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.59 81.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.466 ' CB ' ' HD3' ' A' ' 39' ' ' PRO . 0.1 OUTLIER 171.12 -56.17 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 108.322 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 38' ' ' CYS . 18.3 Cg_endo -75.02 89.82 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.9 mt -66.57 -33.27 62.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.18 64.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -162.75 84.93 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 t -65.78 -44.41 85.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -135.95 -58.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.18 -154.31 33.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 73.66 4.27 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 p 38.92 61.84 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 58.63 88.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 108.355 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.4 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 1.0 110.011 -179.968 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttm . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.484 0.183 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.9 m -137.35 58.16 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -158.84 -142.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.89 -61.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.03 -54.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.0 ptt? 37.95 35.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.0 -59.88 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 mt 65.76 100.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -175.23 43.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 m -165.82 51.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.7 m -141.55 150.32 57.09 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.292 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.08 40.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.3 t -143.92 -57.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' O ' ' CB ' ' A' ' 15' ' ' SER . 2.8 mt -137.3 -61.49 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 4.8 t 78.31 -57.65 0.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.107 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -131.09 70.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -120.82 -77.34 0.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 66.46 5.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.779 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.3 m -137.5 -59.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.38 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.667 ' H ' HD13 ' A' ' 21' ' ' LEU . . . 138.26 60.99 0.05 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.667 HD13 ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -98.07 47.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.2 tp -132.16 -60.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.29 -43.19 97.45 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.448 1.093 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -71.4 -16.76 62.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.8 t -96.94 -20.92 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . -70.93 -60.78 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -48.83 56.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.584 ' O ' HD12 ' A' ' 32' ' ' LEU . 16.9 m -45.31 -58.05 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -63.18 -37.1 85.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -17.35 17.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.86 -31.99 7.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 28' ' ' THR . 2.4 mp -96.7 23.2 7.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -87.62 -57.2 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.423 ' O ' HD13 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -77.28 56.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 36' ' ' GLY . 25.9 mm -115.18 -95.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.45 ' N ' HG22 ' A' ' 35' ' ' ILE . . . -112.97 126.73 7.61 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 166.63 -30.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.301 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.3 p -145.04 150.51 45.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.332 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 75.51 3.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 tt -59.42 -29.88 43.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.628 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.7 pp -158.35 67.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 48.72 73.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 m -72.59 -62.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 179.28 69.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.093 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.22 94.7 0.1 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.68 22.08 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.474 1.776 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m 57.03 104.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.372 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -85.78 -62.33 1.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.315 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 1.0 109.996 179.968 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtp . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.451 0.167 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.3 t 62.16 119.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 44.86 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -41.27 -60.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 9' ' ' ARG . . . 65.8 92.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.408 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -174.87 82.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER 81.33 96.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER 86.79 56.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' CB ' ' HA ' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -152.72 26.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.39 55.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.1 m -150.49 150.78 29.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.337 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -170.76 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 14' ' ' LEU . 7.7 p -148.13 -51.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' N ' HG13 ' A' ' 13' ' ' VAL . 15.8 tp -148.93 72.19 1.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.0 t -94.38 60.07 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 61.5 66.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.15 -69.77 1.22 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.483 1.115 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.493 ' O ' HG22 ' A' ' 19' ' ' THR . 18.5 Cg_endo -74.94 -48.16 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.519 ' O ' HG23 ' A' ' 19' ' ' THR . 0.5 OUTLIER 65.57 10.35 6.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.393 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.65 16.58 56.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.2 mt -97.58 56.42 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -129.42 -61.88 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.93 -20.82 62.76 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -21.7 62.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.612 ' O ' HG22 ' A' ' 28' ' ' THR . 94.0 t -86.14 -22.55 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.15 -45.96 11.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' GLN . 11.1 mtmt -56.82 -50.46 72.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 25' ' ' VAL . 6.6 t -46.2 -26.36 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.395 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -90.61 -32.37 16.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 27' ' ' LYS . 5.9 tm0? -67.69 -8.96 39.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -110.09 -39.82 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -16.42 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.4 9.16 24.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.25 65.53 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.3 pt -110.54 -29.33 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.85 91.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' O ' ' CB ' ' A' ' 38' ' ' CYS . 6.6 tpt85 -177.55 98.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER 165.93 -54.02 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.264 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.1 Cg_endo -75.02 125.01 9.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.595 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -104.24 65.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 45.83 58.78 4.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -175.65 -75.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.609 HG22 ' HG2' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -158.13 -63.14 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.425 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.609 ' HG2' HG22 ' A' ' 43' ' ' THR . 2.6 pt20 174.85 -34.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.96 -166.62 18.89 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.113 . . . . 0.0 111.025 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.656 ' HG2' ' O ' ' A' ' 49' ' ' SER . 18.3 Cg_endo -75.03 166.05 30.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.561 1.822 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.5 p -64.47 -56.69 12.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -122.46 146.35 47.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.656 ' O ' ' HG2' ' A' ' 46' ' ' PRO . 47.5 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 1.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 tt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.86 -26.37 4.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -43.04 69.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.0 t -73.34 -17.2 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.8 49.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.63 -54.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -55.09 -53.35 57.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -63.68 -31.35 72.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -56.33 -18.39 10.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -109.44 -34.12 6.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.3 mt -95.45 22.87 6.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.155 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.9 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.732 HD13 ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.732 ' N ' HD13 ' A' ' 22' ' ' LEU . . . -43.17 -37.25 3.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -42.95 73.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' LEU . 76.4 t -75.31 -15.84 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . -71.77 -62.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.34 -56.28 6.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.679 HG22 HD12 ' A' ' 32' ' ' LEU . 20.8 m -40.43 -58.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.77 -41.0 88.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -50.8 -21.93 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.86 -49.24 3.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.679 HD12 HG22 ' A' ' 28' ' ' THR . 1.0 OUTLIER -51.58 -31.49 24.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.3 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.15 -27.77 32.07 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -41.49 75.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.7 t -74.73 -9.35 12.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.27 45.72 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.06 -42.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.564 HG22 ' CD1' ' A' ' 32' ' ' LEU . 79.1 m -64.36 -46.15 84.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.4 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -63.79 -39.61 94.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -60.1 -14.86 18.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.76 -44.53 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' CD1' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -54.43 -23.38 15.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.45 -32.5 81.3 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -69.73 -15.13 63.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 t -108.05 -11.01 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.26 47.52 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.69 -41.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 m -64.55 -38.6 91.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -65.85 -31.03 71.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.58 21.75 3.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -122.39 -39.81 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.04 16.75 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.59 -30.74 77.57 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -73.32 -24.4 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.8 t -92.17 -15.98 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.76 -57.57 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.16 -28.61 18.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.7 m -68.77 -47.74 65.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -64.56 -40.76 96.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -17.62 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -109.28 -38.58 5.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -49.96 75.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.75 -18.87 40.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.576 1.172 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -72.18 -39.75 68.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.9 t -80.93 -19.5 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.75 -62.58 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -56.91 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.585 ' CG2' HD13 ' A' ' 32' ' ' LEU . 7.0 m -44.75 -58.06 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -60.87 -42.77 98.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -50.57 -22.04 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -109.65 -43.89 3.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.585 HD13 ' CG2' ' A' ' 28' ' ' THR . 0.0 OUTLIER -55.76 -38.33 69.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.74 -37.83 92.98 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 111.061 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -69.78 -15.91 63.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.8 t -100.47 -33.99 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.6 -60.65 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.31 -53.26 17.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -45.41 -59.6 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -61.88 -42.75 99.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -51.78 -21.32 2.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -109.66 -45.93 3.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -36.7 63.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.18 -51.11 0.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -19.78 61.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.76 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.0 t -90.56 -16.4 8.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.88 -56.56 5.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -51.79 -55.06 22.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -41.65 -60.52 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -57.48 -45.04 85.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -18.62 6.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -108.59 -19.76 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mp -103.03 19.65 19.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.68 -29.4 52.36 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -72.31 -35.04 68.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 0.793 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -80.49 -18.91 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.27 -60.13 2.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -53.36 -57.34 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -42.1 -58.9 1.94 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.375 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.58 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 5.0 m-85 -62.42 -37.17 84.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -74.1 -4.19 34.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -108.57 -29.75 8.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.13 24.53 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 29' ' ' TYR . 3.0 m-85 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.793 HD23 ' H ' ' A' ' 23' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.793 ' H ' HD23 ' A' ' 22' ' ' LEU . . . -57.49 -31.04 62.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -41.55 72.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.32 -18.9 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.87 -57.17 3.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.77 -58.98 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.2 m -41.79 -59.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -58.19 -39.78 79.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -74.72 -2.92 28.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.88 -25.2 10.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.4 mt -101.45 24.83 9.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.65 -30.06 42.17 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -15.2 61.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -107.71 -32.24 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.51 51.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.21 -42.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.9 m -71.25 -44.72 64.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -66.18 -38.53 88.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -19.15 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.49 -43.99 3.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -17.86 19.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.4 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.815 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' HD13 ' A' ' 22' ' ' LEU . . . -61.06 -24.37 62.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -74.85 -16.74 60.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.29 -16.27 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.52 -64.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' GLN . 18.6 pttt -50.22 -47.33 54.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.428 ' N ' ' CG ' ' A' ' 27' ' ' LYS . 6.7 t -44.14 -42.04 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -65.49 -35.77 81.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 27' ' ' LYS . 1.6 tt0 -98.85 22.22 10.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -118.46 -42.59 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.99 -24.34 65.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.7 -18.55 11.19 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.691 ' O ' HG21 ' A' ' 28' ' ' THR . 2.6 tttp -69.72 -8.26 46.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 0.735 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.461 ' CA ' ' OG1' ' A' ' 28' ' ' THR . 40.8 t -124.07 -41.75 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.47 -65.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -47.78 75.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.691 HG21 ' O ' ' A' ' 24' ' ' LYS . 2.1 p -47.22 -33.69 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -80.56 -38.75 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -62.74 -13.16 29.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -109.08 -24.48 11.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 28' ' ' THR . 10.2 mt -93.36 19.79 7.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.977 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.928 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.911 ' N ' HD13 ' A' ' 22' ' ' LEU . . . -62.54 -24.35 65.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -75.14 -36.78 61.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.9 t -82.48 -16.38 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.94 -50.12 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -57.15 -53.14 61.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -43.98 -30.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.54 -33.05 16.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -68.26 -8.36 38.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.24 -29.14 7.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.62 20.83 9.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.1 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.934 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.31 -23.45 70.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.05 -16.59 54.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.1 t -101.02 -15.85 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.45 -59.32 2.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' GLN . 17.6 mmtt -54.11 -55.04 31.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -41.83 -38.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.378 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -68.72 -41.32 79.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LYS . 7.5 tt0 -46.94 -24.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -109.68 -42.91 4.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -35.84 68.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.9 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.69 -22.64 47.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -40.78 64.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.8 t -77.81 -18.02 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.66 -59.6 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.26 -55.55 3.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.425 HG22 HD12 ' A' ' 32' ' ' LEU . 18.5 m -45.01 -56.61 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -63.91 -40.08 95.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' HA ' ' OE1' ' A' ' 30' ' ' GLN . 4.2 tp-100 -61.9 -13.88 28.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.63 -42.32 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD12 HG22 ' A' ' 28' ' ' THR . 0.2 OUTLIER -58.15 -43.46 87.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.4 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 111.017 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.41 -31.06 13.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.105 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -71.24 -40.16 71.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 0.787 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -78.08 -22.2 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.17 -62.46 1.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.09 -57.67 4.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -42.88 -59.0 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -59.92 -29.57 68.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.18 18.8 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -123.8 -40.11 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -92.54 22.91 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 111.034 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 tt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.29 -60.6 0.66 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -24.44 61.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.8 t -86.66 -17.94 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.97 -37.29 9.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -71.44 -33.41 69.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -64.87 -19.59 65.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.66 ' CE1' ' CD1' ' A' ' 33' ' ' PHE . 29.6 t80 -95.0 -34.1 12.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -18.75 13.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -106.22 -37.32 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -17.66 58.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.66 ' CD1' ' CE1' ' A' ' 29' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.44 -26.02 69.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -27.95 62.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 0.774 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.5 t -79.81 -19.98 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.4 -60.9 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -51.29 -54.31 27.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.649 HG22 HD12 ' A' ' 32' ' ' LEU . 80.8 m -42.35 -60.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -63.36 -40.86 98.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -20.94 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.39 -51.62 2.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 28' ' ' THR . 0.5 OUTLIER -50.19 -30.29 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.5 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.513 ' O ' ' HB3' ' A' ' 26' ' ' ALA . . . -56.41 -17.46 18.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.413 1.071 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.898 ' O ' HG23 ' A' ' 28' ' ' THR . 2.1 tppt? -69.83 -44.62 69.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 25' ' ' VAL . 79.3 t -77.39 -1.2 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.28 -67.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -53.67 -44.75 69.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.333 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.898 HG23 ' O ' ' A' ' 24' ' ' LYS . 23.4 p -38.76 -46.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -65.63 -44.55 86.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' LYS . 2.9 mt-30 -53.37 -20.04 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -109.32 -22.75 11.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.56 17.66 14.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.988 179.977 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.74 -9.99 63.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.91 -16.17 39.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.1 t -106.5 -23.1 4.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.06 -63.22 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -53.69 24.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.5 m -42.54 -59.02 2.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -61.65 -42.24 98.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -50.03 -22.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -109.46 -41.23 4.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -37.76 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.5 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.97 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' VAL . 5.6 tt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.28 -27.68 1.85 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -44.62 63.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 22' ' ' LEU . 84.2 t -76.44 -16.01 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -100.08 52.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.55 -54.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.0 m -57.49 -49.73 75.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -68.51 -41.14 80.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -54.6 -19.13 5.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -109.83 -39.85 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -38.3 75.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.949 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . -59.43 -21.65 54.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.14 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -72.92 -22.37 60.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.38 -30.4 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.03 55.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.2 OUTLIER -178.35 -41.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.5 m -75.13 -39.68 60.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -67.29 -38.79 85.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -13.08 25.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.41 -48.82 3.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.2 -31.52 53.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.999 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 tt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.24 -59.76 0.53 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -29.11 66.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.2 t -80.5 -26.55 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -71.42 -63.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 -53.84 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -49.95 -44.26 50.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' ALA . 1.7 t80 -87.01 12.64 10.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.038 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -115.1 -6.8 12.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -107.62 -40.51 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.54 -28.96 68.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.31 -35.97 56.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -70.11 -36.89 75.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.766 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.4 t -79.09 -21.76 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.96 -59.17 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.26 -58.4 6.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.45 HG22 HD12 ' A' ' 32' ' ' LEU . 8.2 m -39.61 -61.46 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -63.32 -43.39 97.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -56.04 -19.33 12.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -108.93 -18.59 13.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.45 HD12 HG22 ' A' ' 28' ' ' THR . 76.8 mt -104.59 17.84 23.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 t80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 111.022 179.963 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 23' ' ' GLY . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . -81.42 -17.66 70.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.77 -14.83 59.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.8 t -112.84 -11.62 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.29 44.61 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -169.87 -42.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.517 HG22 HD12 ' A' ' 32' ' ' LEU . 43.5 m -64.56 -44.92 89.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -37.05 84.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.046 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -17.83 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -109.07 -26.11 10.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.517 HD12 HG22 ' A' ' 28' ' ' THR . 75.0 mt -99.75 24.01 8.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.1 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.98 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.06 -26.63 58.69 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.556 1.16 . . . . 0.0 111.023 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -73.15 -17.97 61.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 0.782 . . . . 0.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.84 -28.35 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -74.14 -56.78 4.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.56 -45.25 2.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.9 m -57.91 -48.16 80.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 26' ' ' ALA . 9.3 t80 -68.88 -33.77 74.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -61.97 -13.84 29.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.25 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -110.04 -43.23 4.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.4 mt -56.05 -39.82 72.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.986 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.85 -58.0 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -69.94 -16.84 63.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 t -89.76 -18.7 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.68 -44.3 9.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -61.73 -58.81 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 29' ' ' TYR . 3.9 t -39.53 -46.04 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.413 ' N ' ' CG2' ' A' ' 28' ' ' THR . 4.3 m-85 -63.91 -42.15 97.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -55.28 -18.82 6.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.49 -47.28 3.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -50.97 -33.2 23.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.8 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.2 tp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.29 -43.19 97.45 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.448 1.093 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -71.4 -16.76 62.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.8 t -96.94 -20.92 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . -70.93 -60.78 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -48.83 56.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.584 ' O ' HD12 ' A' ' 32' ' ' LEU . 16.9 m -45.31 -58.05 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -63.18 -37.1 85.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -17.35 17.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.86 -31.99 7.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 28' ' ' THR . 2.4 mp -96.7 23.2 7.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.997 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.93 -20.82 62.76 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -21.7 62.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.612 ' O ' HG22 ' A' ' 28' ' ' THR . 94.0 t -86.14 -22.55 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.15 -45.96 11.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' GLN . 11.1 mtmt -56.82 -50.46 72.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 25' ' ' VAL . 6.6 t -46.2 -26.36 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.395 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -90.61 -32.37 16.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 27' ' ' LYS . 5.9 tm0? -67.69 -8.96 39.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -110.09 -39.82 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -16.42 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.522 0.201 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.5 t -128.95 88.97 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.8 107.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.01 61.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 51.78 75.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.2 ptm -152.15 48.23 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -167.36 60.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -173.79 101.18 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.8 ptt85 -176.08 46.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.28 32.87 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 43.57 73.39 0.95 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 108.306 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -54.69 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -166.96 -43.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 72.45 27.31 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t 75.71 -57.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -131.07 73.2 1.53 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.117 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.67 -65.32 1.51 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -171.45 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.429 1.752 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.551 ' O ' HG22 ' A' ' 19' ' ' THR . 54.7 m 62.6 31.58 16.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -120.0 68.91 0.38 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 72.98 88.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 0.814 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 tt -137.42 -61.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.86 -26.37 4.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -43.04 69.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.0 t -73.34 -17.2 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.8 49.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.63 -54.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -55.09 -53.35 57.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -63.68 -31.35 72.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -56.33 -18.39 10.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -109.44 -34.12 6.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.3 mt -95.45 22.87 6.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.155 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -71.59 -52.92 15.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -139.04 87.28 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 36' ' ' GLY . 47.4 mm -82.5 -96.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.486 ' N ' HG22 ' A' ' 35' ' ' ILE . . . 164.46 -55.47 0.27 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -95.61 54.54 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.9 p -43.46 150.98 0.48 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.305 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 131.87 14.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.555 1.818 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.65 -31.13 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -71.2 -57.67 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 63.31 113.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 43' ' ' THR . 21.4 m 63.38 64.39 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.9 -24.04 10.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.81 -158.86 23.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.908 ' HG2' ' OXT' ' A' ' 49' ' ' SER . 18.4 Cg_endo -75.01 160.37 40.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -33.7 76.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.758 ' O ' ' OXT' ' A' ' 49' ' ' SER . 31.7 p -135.79 147.88 48.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 108.262 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.908 ' OXT' ' HG2' ' A' ' 46' ' ' PRO . 94.3 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 1.0 109.972 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.498 0.19 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.668 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 7.7 p -106.26 52.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 2' ' ' VAL . . . 82.17 133.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.11 72.69 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.07 -59.87 4.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.6 ttt 63.14 79.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 tp -145.59 63.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 53.61 62.73 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.77 59.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 m -152.62 -58.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.1 m -81.83 150.58 66.05 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.321 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -169.19 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 84.3 t -90.4 -15.35 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 1.3 tt 87.03 -48.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 3.9 t 80.31 -55.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' C ' HD22 ' A' ' 14' ' ' LEU . 3.9 mt-30 -106.73 61.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.55 -76.29 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.22 14.89 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.9 p 40.2 86.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.05 57.93 0.41 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 47.15 79.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.732 HD13 ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -61.62 -58.13 9.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.732 ' N ' HD13 ' A' ' 22' ' ' LEU . . . -43.17 -37.25 3.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -42.95 73.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' LEU . 76.4 t -75.31 -15.84 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . -71.77 -62.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.34 -56.28 6.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.679 HG22 HD12 ' A' ' 32' ' ' LEU . 20.8 m -40.43 -58.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.77 -41.0 88.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -50.8 -21.93 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.86 -49.24 3.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.679 HD12 HG22 ' A' ' 28' ' ' THR . 1.0 OUTLIER -51.58 -31.49 24.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -44.88 -31.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.82 95.77 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.466 HG23 ' HA ' ' A' ' 32' ' ' LEU . 44.9 pt -105.47 -30.36 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.94 79.48 1.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.5 -27.42 10.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 0.746 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.52 149.77 0.37 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.325 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -66.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.814 ' O ' HD12 ' A' ' 41' ' ' LEU . 13.8 mt 41.09 45.62 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.814 HD12 ' O ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER 83.17 -52.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 41' ' ' LEU . . . 71.04 -62.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 42' ' ' ALA . 2.3 t -177.59 51.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.371 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -160.56 39.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.43 -76.51 0.97 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 56.69 4.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 p 39.13 63.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.65 127.35 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 108.278 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 109.967 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.518 0.199 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.425 HG23 ' N ' ' A' ' 3' ' ' ALA . 9.9 m -87.82 -155.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.425 ' N ' HG23 ' A' ' 2' ' ' VAL . . . -167.0 123.31 1.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.19 73.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.5 -70.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.797 ' O ' HD12 ' A' ' 7' ' ' LEU . 7.4 ttm 47.94 57.79 5.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 6' ' ' MET . 0.3 OUTLIER 87.71 -45.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER 81.03 -54.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.02 -47.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.38 47.2 9.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.44 150.46 97.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 108.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HB2' HD12 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.96 -12.24 21.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.567 ' O ' HG12 ' A' ' 13' ' ' VAL . 46.0 t 61.41 35.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.446 HD12 ' HB2' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -65.95 -40.58 91.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.2 p 49.4 91.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 73.66 86.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.93 -77.32 0.85 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -169.77 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.478 1.778 . . . . 0.0 111.058 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 p -139.29 -52.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.36 -54.18 0.65 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.541 1.15 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.39 71.81 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.747 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.58 -64.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.15 -27.77 32.07 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -41.49 75.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.7 t -74.73 -9.35 12.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.27 45.72 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.06 -42.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.564 HG22 ' CD1' ' A' ' 32' ' ' LEU . 79.1 m -64.36 -46.15 84.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.4 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -63.79 -39.61 94.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -60.1 -14.86 18.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.76 -44.53 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' CD1' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -54.43 -23.38 15.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.86 -44.96 12.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -85.38 63.27 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.8 pt -109.28 -31.16 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 153.13 -107.32 0.32 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 166.57 -30.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.98 87.85 5.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 108.266 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 81.94 2.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.463 ' O ' HG22 ' A' ' 43' ' ' THR . 1.4 pp -91.57 -32.12 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 pp -86.04 -38.75 17.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.85 64.0 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 40' ' ' ILE . 6.7 t -170.84 57.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.45 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.52 -58.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.55 -171.88 28.8 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 134.36 17.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 t -64.18 132.85 51.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.424 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.38 125.23 32.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 108.286 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 1.0 109.956 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.504 0.193 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.0 t -103.57 70.57 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -160.55 76.39 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.89 66.24 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.514 ' HB1' HD12 ' A' ' 7' ' ' LEU . . . -178.9 95.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.8 38.7 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.514 HD12 ' HB1' ' A' ' 5' ' ' ALA . 1.8 mt -85.47 -58.01 2.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mt 68.43 68.66 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -158.02 -44.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.08 44.46 29.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.023 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 47.06 90.64 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 108.233 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 83.09 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.1 p -91.11 -32.08 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 69.94 51.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 p 41.45 73.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 67.65 80.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.86 -67.25 1.18 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.07 120.81 6.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 3.1 m 79.18 -53.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.402 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 45.33 65.75 1.78 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.4 mt 42.33 73.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 tp -117.59 -59.25 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.45 -32.5 81.3 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -69.73 -15.13 63.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 t -108.05 -11.01 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.26 47.52 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.69 -41.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 m -64.55 -38.6 91.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -65.85 -31.03 71.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.58 21.75 3.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -122.39 -39.81 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.04 16.75 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -113.73 -49.81 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.772 ' O ' HG23 ' A' ' 35' ' ' ILE . 31.9 p -81.86 61.83 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.772 HG23 ' O ' ' A' ' 34' ' ' SER . 1.2 pp -161.73 96.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.08 -78.18 0.24 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 165.79 -30.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.314 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.6 149.68 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.21 25.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.646 HD13 ' O ' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -175.02 -40.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.62 -62.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.04 87.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.1 t -70.0 -45.96 66.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.387 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -59.19 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.12 97.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 118.25 5.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 m -76.15 109.55 9.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.1 m 65.2 149.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.316 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 1.0 110.016 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.1 mmm . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.523 0.201 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 m -128.94 -156.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -158.83 -142.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.92 83.05 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.96 -60.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.36 60.06 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 65.05 87.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.6 55.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.88 38.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.54 48.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.35 150.44 97.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 108.273 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -65.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.435 1.755 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.553 ' O ' HG12 ' A' ' 13' ' ' VAL . 42.7 t 60.79 34.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.24 16.41 10.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -76.26 57.13 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -158.74 26.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -95.52 -71.67 1.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -169.74 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 p -137.81 -55.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.83 88.5 0.72 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -141.46 -71.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 109.246 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tt 78.73 -59.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.59 -30.74 77.57 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -73.32 -24.4 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.8 t -92.17 -15.98 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.76 -57.57 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.16 -28.61 18.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.7 m -68.77 -47.74 65.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -64.56 -40.76 96.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -17.62 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -109.28 -38.58 5.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -49.96 75.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -38.04 -49.23 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.3 m -140.81 83.12 1.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 36' ' ' GLY . 3.4 mt -64.45 -95.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' N ' HG22 ' A' ' 35' ' ' ILE . . . -135.5 156.22 22.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.23 -27.51 8.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.5 m 65.7 150.66 0.12 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 108.313 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LEU . 18.4 Cg_endo -74.95 -71.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.477 HG22 ' HG ' ' A' ' 41' ' ' LEU . 42.5 mt 69.95 -61.33 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.477 ' HG ' HG22 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -128.38 48.72 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -98.87 -62.54 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 43' ' ' THR . 22.2 m -149.23 65.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -175.76 -56.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.26 -66.57 1.03 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.97 29.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 p -58.29 163.39 3.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.86 148.26 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 108.292 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 1.0 109.956 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mtt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.464 0.173 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -82.22 155.46 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.62 99.98 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.54 -59.94 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 62.91 62.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.73 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 42.9 57.7 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 177.68 104.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.08 -48.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 42.22 36.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.027 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -68.8 150.56 97.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.24 27.48 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.86 -49.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.1 mp -91.69 -15.23 28.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.7 t 84.94 -48.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 75.26 72.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.56 -73.46 1.01 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 60.01 5.34 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 m -66.83 -62.27 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.4 98.24 0.12 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -149.46 69.97 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -170.19 -57.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.75 -18.87 40.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.576 1.172 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -72.18 -39.75 68.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.9 t -80.93 -19.5 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.75 -62.58 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -56.91 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.585 ' CG2' HD13 ' A' ' 32' ' ' LEU . 7.0 m -44.75 -58.06 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -60.87 -42.77 98.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -50.57 -22.04 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -109.65 -43.89 3.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.585 HD13 ' CG2' ' A' ' 28' ' ' THR . 0.0 OUTLIER -55.76 -38.33 69.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -44.58 -44.18 8.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.61 88.27 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.555 HG22 ' N ' ' A' ' 36' ' ' GLY . 29.1 mm -82.65 -97.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.555 ' N ' HG22 ' A' ' 35' ' ' ILE . . . -40.69 -68.57 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.56 1.162 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? 49.17 84.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.737 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.1 m 64.3 150.75 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.264 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 96.91 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.53 1.805 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.03 -37.93 81.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.58 -63.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -177.19 -63.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.0 -58.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.43 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 4.0 pt20 -176.69 65.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.67 -149.13 0.23 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 61.26 5.63 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.419 1.747 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.62 125.71 0.6 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.7 p -111.28 53.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.278 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 1.0 110.018 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 tmm? . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.501 0.191 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 p -165.75 155.17 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.19 72.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.256 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -177.38 75.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -175.74 -62.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.2 ttt 57.9 76.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 tp -159.44 82.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.71 97.76 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -160.79 -44.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.72 50.99 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.1 p -139.23 150.69 65.38 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 108.3 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 170.67 19.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.86 -48.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mt 68.63 53.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.2 m -79.42 58.2 2.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 67.82 63.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.73 -70.96 1.02 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 171.35 18.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 20' ' ' GLY . 7.2 t -138.06 -47.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.413 ' N ' ' CG2' ' A' ' 19' ' ' THR . . . 140.55 -58.61 0.58 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mp 69.51 62.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.56 -61.33 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.74 -37.83 92.98 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 111.061 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -69.78 -15.91 63.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.8 t -100.47 -33.99 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.6 -60.65 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.31 -53.26 17.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -45.41 -59.6 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -61.88 -42.75 99.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -51.78 -21.32 2.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.471 ' CD2' HD13 ' A' ' 35' ' ' ILE . 8.9 t80 -109.66 -45.93 3.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.43 HD22 HD11 ' A' ' 35' ' ' ILE . 0.6 OUTLIER -53.94 -36.7 63.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -43.12 -57.35 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.9 p -140.67 82.92 1.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.471 HD13 ' CD2' ' A' ' 31' ' ' PHE . 19.5 mm -61.48 -95.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.458 ' N ' HG22 ' A' ' 35' ' ' ILE . . . 147.37 118.48 1.05 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.27 74.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 70.6 m -85.69 150.44 53.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.272 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 87.23 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.0 tt -85.95 8.67 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 68.78 51.04 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -159.05 -60.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.9 t -66.47 -45.63 79.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.452 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -105.72 -57.48 2.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.76 157.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 112.86 3.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 m -156.83 -60.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 54.24 78.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 108.289 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.2 m . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 109.971 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mmm . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.508 0.194 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.68 147.45 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.77 -138.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.58 -61.95 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -174.15 -57.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.502 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.11 -50.76 71.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.633 HD23 ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER 87.99 -45.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.633 ' CD1' HD23 ' A' ' 7' ' ' LEU . 2.0 mp -158.83 -105.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.34 34.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.2 m -161.97 37.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -153.84 77.95 5.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 108.302 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.47 30.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 77.2 t -144.47 -49.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 65.06 42.94 3.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.26 -57.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -157.69 -46.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.253 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.09 -58.51 0.2 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.537 ' CB ' HD13 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.0 -38.96 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.448 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 3.1 m 79.1 -53.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.42 -91.36 0.4 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.537 HD13 ' CB ' ' A' ' 18' ' ' PRO . 0.8 OUTLIER 69.73 58.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.06 76.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.18 -51.11 0.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -19.78 61.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.76 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.0 t -90.56 -16.4 8.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.88 -56.56 5.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -51.79 -55.06 22.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -41.65 -60.52 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -57.48 -45.04 85.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -18.62 6.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -108.59 -19.76 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mp -103.03 19.65 19.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -89.8 -39.52 13.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.7 p -142.81 89.11 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.0 pt -109.05 -30.7 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.64 93.42 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -152.64 67.98 0.83 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 0.754 . . . . 0.0 110.306 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.5 m 63.31 150.44 0.11 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 108.286 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 104.59 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.57 -39.4 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 1.2 mt -54.66 -69.4 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 41' ' ' LEU . . . 179.06 -65.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 44' ' ' GLN . 4.0 t -176.42 -51.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.457 ' N ' HG23 ' A' ' 43' ' ' THR . 2.1 tt0 -177.91 82.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.47 -72.69 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -177.97 3.83 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.498 1.789 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.5 m 63.27 -82.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.422 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.0 p -78.25 141.97 38.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 108.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 1.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.573 ' O ' HG12 ' A' ' 2' ' ' VAL . 2.4 mmt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.481 0.181 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 1' ' ' MET . 9.1 p 45.98 32.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 43.31 87.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.98 61.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -178.1 62.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -179.64 78.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -90.44 -63.1 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 7' ' ' LEU . 1.1 mp -154.94 65.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -162.53 61.7 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 t -133.33 -46.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 62.07 147.58 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 108.259 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -171.07 0.88 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.3 t -147.71 -54.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 17' ' ' GLY . 1.9 mp -67.41 -46.53 72.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 t 77.16 -57.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -78.32 -95.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.6 1.187 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.462 ' O ' HD23 ' A' ' 14' ' ' LEU . . . -178.76 -62.21 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.566 1.166 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.94 19.31 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 p -137.11 -47.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.06 -35.54 0.41 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.12 . . . . 0.0 111.061 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp -90.32 49.77 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -152.32 -51.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.68 -29.4 52.36 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -72.31 -35.04 68.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 0.793 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.5 t -80.49 -18.91 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.27 -60.13 2.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -53.36 -57.34 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -42.1 -58.9 1.94 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.375 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.58 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 5.0 m-85 -62.42 -37.17 84.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -74.1 -4.19 34.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -108.57 -29.75 8.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.13 24.53 7.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 29' ' ' TYR . 3.0 m-85 -121.88 15.85 10.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -165.18 64.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.973 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 pt -106.07 -31.1 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.12 69.91 0.95 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.76 87.34 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 0.76 . . . . 0.0 110.268 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.9 m -41.75 101.77 0.25 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 85.48 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.549 1.815 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.4 pt -73.6 -34.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.847 HD12 HG22 ' A' ' 43' ' ' THR . 0.2 OUTLIER -53.16 -49.56 66.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 63.47 75.19 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.847 HG22 HD12 ' A' ' 41' ' ' LEU . 4.6 t -162.42 49.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.33 -69.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -37.53 98.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 96.79 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.468 1.772 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.8 t -136.57 150.02 48.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.804 ' O ' ' OXT' ' A' ' 49' ' ' SER . 14.8 m 62.08 115.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.804 ' OXT' ' O ' ' A' ' 48' ' ' CYS . 91.1 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 1.0 110.024 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.52 0.2 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.9 p -106.65 149.4 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.25 99.14 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.92 70.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -157.63 -69.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 38.89 54.6 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 7' ' ' LEU . 4.3 mm? -62.18 -81.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mt 41.62 76.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.08 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.71 47.52 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -74.17 -53.98 3.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.298 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -75.01 67.28 5.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.7 p -90.47 -26.22 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.33 62.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 t -98.37 66.42 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 67.58 65.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.21 -61.71 1.88 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -176.46 2.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.3 t -154.73 -44.9 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.54 51.31 4.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.772 HD12 ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -137.26 15.03 3.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.793 HD23 ' H ' ' A' ' 23' ' ' GLY . 0.2 OUTLIER -170.87 -44.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.793 ' H ' HD23 ' A' ' 22' ' ' LEU . . . -57.49 -31.04 62.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -41.55 72.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.32 -18.9 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.87 -57.17 3.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.77 -58.98 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.2 m -41.79 -59.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -58.19 -39.78 79.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -74.72 -2.92 28.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.401 ' O ' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -109.88 -25.2 10.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.4 mt -101.45 24.83 9.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -106.35 -51.38 2.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 35' ' ' ILE . 17.6 t -84.39 -61.69 1.74 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 34' ' ' SER . 22.7 pt 43.76 93.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.36 168.96 0.44 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 52.77 88.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 110.264 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.57 94.84 1.2 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 108.327 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 107.2 2.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 41' ' ' LEU . 2.7 mp -56.24 -86.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -95.31 57.75 2.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 41' ' ' LEU . . . 72.37 -63.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.7 p -123.94 -49.05 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.23 -41.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.08 93.14 0.11 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 77.53 3.09 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.0 m 49.24 85.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.777 ' O ' ' OXT' ' A' ' 49' ' ' SER . 87.7 m 61.75 116.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 108.298 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.777 ' OXT' ' O ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.955 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.53 0.205 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.2 t 63.79 143.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.86 129.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.02 61.77 0.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.53 -61.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.1 ttp 43.97 63.28 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 40.52 50.87 2.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -154.16 90.34 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -176.22 52.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.52 -56.92 2.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 66.1 m 43.27 87.86 0.11 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 108.329 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.51 33.21 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.4 t -91.9 -35.98 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mp 68.32 59.88 0.41 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.65 57.75 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -162.67 39.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.93 -66.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.69 17.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.554 1.818 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.4 m -80.86 -60.36 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.605 ' C ' HD23 ' A' ' 21' ' ' LEU . . . 148.4 108.82 0.51 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.605 HD23 ' C ' ' A' ' 20' ' ' GLY . 1.0 OUTLIER 40.6 67.24 0.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tt -123.05 -58.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.65 -30.06 42.17 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -15.2 61.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -107.71 -32.24 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.51 51.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.21 -42.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.9 m -71.25 -44.72 64.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -66.18 -38.53 88.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -19.15 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.408 ' O ' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -109.49 -43.99 3.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -17.86 19.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -72.23 -42.65 65.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 35' ' ' ILE . 0.2 OUTLIER -86.14 -94.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.968 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 34' ' ' SER . 22.6 pt 43.85 93.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.04 142.73 9.8 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 38' ' ' CYS . 74.6 mtm-85 -113.17 -29.7 7.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER 162.39 -54.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.4 Cg_endo -74.94 102.7 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.4 tp -141.75 -47.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -168.68 63.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -177.49 64.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.45 HG23 ' N ' ' A' ' 44' ' ' GLN . 8.3 t -73.9 -50.0 22.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' N ' HG23 ' A' ' 43' ' ' THR . 0.3 OUTLIER 174.07 42.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.51 -171.49 26.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -47.6 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.1 p 45.0 -163.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.7 m -152.57 -62.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 108.317 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 1.0 109.995 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.522 0.201 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.5 t 62.72 125.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.82 -138.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 65.08 77.04 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.93 87.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -23.42 35.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp 40.93 69.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 tt -160.28 86.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.39 -50.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t 49.82 42.81 24.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.3 149.8 3.29 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 108.315 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -65.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.77 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 p -168.52 -43.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt 68.61 49.49 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.5 t 76.7 -58.17 0.52 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.976 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -166.26 -49.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.358 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.01 -59.36 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -41.37 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.7 m -90.93 32.19 1.02 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.366 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.0 -55.4 2.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.3 mt -94.02 53.74 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.815 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -117.58 -54.67 2.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' HD13 ' A' ' 22' ' ' LEU . . . -61.06 -24.37 62.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -74.85 -16.74 60.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.29 -16.27 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.52 -64.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' GLN . 18.6 pttt -50.22 -47.33 54.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.428 ' N ' ' CG ' ' A' ' 27' ' ' LYS . 6.7 t -44.14 -42.04 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.364 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -65.49 -35.77 81.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 27' ' ' LYS . 1.6 tt0 -98.85 22.22 10.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -118.46 -42.59 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.437 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 6.1 mt -67.99 -24.34 65.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -93.96 15.56 16.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -155.19 97.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 34' ' ' SER . 0.1 OUTLIER -153.66 94.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 114.13 -83.65 0.34 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.34 99.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 110.36 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 63.4 m 60.51 95.18 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 108.332 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.8 41.25 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.542 HD12 ' CG2' ' A' ' 43' ' ' THR . 1.4 mp -88.69 45.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 71.43 53.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 61.62 88.28 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.542 ' CG2' HD12 ' A' ' 40' ' ' ILE . 15.6 p -53.03 -30.18 34.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.421 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -179.61 36.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.313 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' GLN . . . 37.7 83.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.72 2.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -108.99 157.46 18.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 86.7 m -116.8 109.71 17.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 108.286 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtp . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.531 0.205 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.9 m -141.24 155.43 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 44.64 90.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.692 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -91.43 50.6 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 4' ' ' ALA . . . 85.09 -48.67 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 tmm? 38.62 56.26 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.662 HD13 ' HB1' ' A' ' 5' ' ' ALA . 5.7 mp -81.96 -67.11 0.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.2 96.53 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -146.22 55.02 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.04 -57.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.1 m -69.68 150.46 96.7 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 108.342 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 165.2 31.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.968 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.62 -47.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.34 55.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.85 51.62 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 61.24 68.1 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.09 -75.8 0.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.38 22.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.478 ' O ' HG22 ' A' ' 19' ' ' THR . 99.1 m 45.96 31.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.85 46.27 3.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mp -96.12 54.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 0.0 109.253 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -141.72 -64.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.7 -18.55 11.19 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.691 ' O ' HG21 ' A' ' 28' ' ' THR . 2.6 tttp -69.72 -8.26 46.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 0.735 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.461 ' CA ' ' OG1' ' A' ' 28' ' ' THR . 40.8 t -124.07 -41.75 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.47 -65.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -47.78 75.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.691 HG21 ' O ' ' A' ' 24' ' ' LYS . 2.1 p -47.22 -33.69 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -80.56 -38.75 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -62.74 -13.16 29.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -109.08 -24.48 11.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 28' ' ' THR . 10.2 mt -93.36 19.79 7.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -123.17 -52.14 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.32 55.41 1.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 32' ' ' LEU . 54.5 mt -111.02 -30.94 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.89 77.06 1.08 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -73.16 -92.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -60.91 -53.99 58.73 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.1 Cg_endo -75.01 89.6 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.9 tt -76.59 -39.37 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -151.87 77.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 41' ' ' LEU . . . 71.43 -63.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.9 m 69.55 -61.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.77 55.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.97 -174.42 48.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -55.62 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.533 1.807 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 m -150.04 -59.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.415 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.1 m 67.52 73.6 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 108.374 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 1.0 110.013 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.514 0.197 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.668 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 5.1 m 40.42 -159.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 2' ' ' VAL . . . 83.13 67.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 3' ' ' ALA . . . 176.54 66.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -175.24 -64.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.848 ' C ' HD23 ' A' ' 7' ' ' LEU . 8.9 ptp -175.94 45.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.848 HD23 ' C ' ' A' ' 6' ' ' MET . 0.6 OUTLIER 40.64 49.53 2.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 5.1 tp 86.96 -56.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 10' ' ' SER . 3.5 mmt180 -151.7 -71.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.555 ' OG ' HD11 ' A' ' 7' ' ' LEU . 0.1 OUTLIER 81.82 -5.04 1.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.003 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 p -88.87 150.81 46.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.245 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.412 ' O ' HG23 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.0 -60.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.435 1.755 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 12' ' ' PRO . 64.2 t -153.68 -75.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -160.79 51.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.5 p 83.55 -51.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -165.61 -72.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.4 -64.31 0.08 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.01 -165.88 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 1.8 m 82.02 111.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 142.15 81.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -147.04 81.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.928 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -103.59 -21.53 13.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.911 ' N ' HD13 ' A' ' 22' ' ' LEU . . . -62.54 -24.35 65.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -75.14 -36.78 61.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.9 t -82.48 -16.38 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.94 -50.12 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -57.15 -53.14 61.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -43.98 -30.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.54 -33.05 16.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -68.26 -8.36 38.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.24 -29.14 7.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.62 20.83 9.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -111.19 -42.78 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 90.8 p -92.74 62.06 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.4 pt -109.73 -27.17 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.03 118.21 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.158 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -28.57 19.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 67.49 78.36 0.24 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 108.32 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 85.31 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 tt -47.28 -38.98 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.511 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -50.38 -69.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 41' ' ' LEU . . . 72.61 -62.66 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.0 p 45.76 51.72 10.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.392 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -170.13 32.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.23 158.66 19.45 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.54 3.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.3 m 63.78 139.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.7 p -103.08 -36.23 8.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 108.286 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 110.028 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.463 0.173 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.5 t -70.26 129.53 34.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -158.93 -142.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.28 -70.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 40.59 73.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 24.6 ttm -57.92 -62.02 2.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.678 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -173.88 -67.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -174.75 -68.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' A' ' 10' ' ' SER . 4.4 ptp85 -176.22 -53.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER 87.36 -37.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.047 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 m 63.24 150.68 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.32 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -168.13 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 98.5 t -71.01 -50.58 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.35 -64.74 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.5 t 56.74 64.68 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.85 -81.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.87 -61.91 0.07 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -169.78 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.7 m -137.38 23.54 2.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 144.32 47.28 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mt 47.48 85.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.49 -51.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.31 -23.45 70.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.05 -16.59 54.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.1 t -101.02 -15.85 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.45 -59.32 2.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' GLN . 17.6 mmtt -54.11 -55.04 31.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -41.83 -38.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.378 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -68.72 -41.32 79.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LYS . 7.5 tt0 -46.94 -24.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -109.68 -42.91 4.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.429 ' HA ' ' CG2' ' A' ' 35' ' ' ILE . 0.2 OUTLIER -56.45 -35.84 68.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -47.17 -26.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.16 94.18 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.429 ' CG2' ' HA ' ' A' ' 32' ' ' LEU . 36.2 pt -108.16 -31.2 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 160.58 162.95 13.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.69 52.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.491 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -68.34 -54.1 15.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.276 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.2 Cg_endo -75.01 121.56 6.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.502 1.79 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.2 mm -116.93 -88.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.244 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.1 -60.15 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.85 -67.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 t -175.19 -38.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.356 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -178.03 62.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.64 178.75 38.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 171.18 18.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.411 ' H ' HG23 ' A' ' 47' ' ' THR . 62.6 p -42.91 163.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 m 58.38 77.25 0.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.575 1.172 . . . . 0.0 108.296 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 1.0 110.008 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.472 0.177 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.651 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 7.8 p -129.54 149.61 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 2' ' ' VAL . . . 80.7 122.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -155.58 62.1 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.56 -60.76 3.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.4 tpt 59.26 56.24 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mt -91.53 46.55 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 tp -80.7 54.43 2.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -175.96 48.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -166.87 -58.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.027 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -72.46 150.33 91.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 108.27 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.73 42.66 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.528 HG12 HD12 ' A' ' 14' ' ' LEU . 10.9 t -74.76 -48.46 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.528 HD12 HG12 ' A' ' 13' ' ' VAL . 1.2 mp -141.48 -48.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 p 74.22 32.07 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -106.69 17.43 23.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.95 -67.96 1.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -75.01 179.39 6.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.444 1.76 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.435 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 3.1 m 79.19 -53.61 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.428 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.46 -44.3 34.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 76.41 91.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.332 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.25 -60.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.69 -22.64 47.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -40.78 64.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.8 t -77.81 -18.02 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.66 -59.6 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.26 -55.55 3.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.425 HG22 HD12 ' A' ' 32' ' ' LEU . 18.5 m -45.01 -56.61 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -63.91 -40.08 95.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' HA ' ' OE1' ' A' ' 30' ' ' GLN . 4.2 tp-100 -61.9 -13.88 28.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.63 -42.32 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD12 HG22 ' A' ' 28' ' ' THR . 0.2 OUTLIER -58.15 -43.46 87.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -52.14 -44.36 64.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -67.12 -56.02 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.055 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 36' ' ' GLY . 20.2 mt -48.15 -94.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.432 ' N ' HG22 ' A' ' 35' ' ' ILE . . . 76.92 -94.78 1.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -151.57 83.32 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.6 p -117.89 150.59 47.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.152 . . . . 0.0 108.27 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' ILE . 18.1 Cg_endo -75.03 -65.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 40' ' ' ILE . 26.0 mm 40.53 35.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 mp 60.61 66.67 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -173.93 77.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.7 p -137.94 -56.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.376 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -174.44 83.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.263 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.83 171.1 25.55 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.98 34.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -98.66 124.8 43.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.352 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.2 m 62.45 150.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 108.284 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.7 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 1.0 109.994 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.456 0.17 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.644 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 91.3 t -106.18 145.56 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 2' ' ' VAL . . . 79.7 136.75 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -86.63 -61.76 1.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 4' ' ' ALA . . . 74.21 97.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.2 mmt 60.65 78.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -51.81 64.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tt -168.03 90.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 10' ' ' SER . 7.6 mtm180 -145.74 -78.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER 82.58 -6.22 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.0 p -99.52 151.07 37.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.329 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 166.39 29.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.72 -32.73 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.75 37.33 1.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.5 t -74.87 57.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 45.69 76.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.73 -78.82 0.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.65 5.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 t -88.74 -29.22 19.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.4 75.84 1.2 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mt -94.49 53.1 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -165.3 -63.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.41 -31.06 13.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.105 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -71.24 -40.16 71.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 0.787 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -78.08 -22.2 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.17 -62.46 1.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.09 -57.67 4.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -42.88 -59.0 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -59.92 -29.57 68.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.18 18.8 6.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -123.8 -40.11 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -92.54 22.91 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -110.64 -57.56 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -99.28 60.16 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' ' 35' ' ' ILE . 4.7 mp -61.73 -20.33 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.96 -124.68 5.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -113.18 -29.6 7.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.496 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER 163.82 -54.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 108.316 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.3 Cg_endo -75.03 147.63 34.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.7 mm -81.92 -37.49 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -164.17 55.66 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 39' ' ' PRO . . . -176.99 95.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.8 t -102.78 -35.16 8.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.431 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.42 74.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.59 -150.88 6.07 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.69 41.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 p -75.21 -24.07 57.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.9 m 64.97 134.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 108.271 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 1.0 110.02 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.517 0.198 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 73.6 t -132.24 103.18 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 43.91 83.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.82 85.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -169.71 -61.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.51 83.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 111.04 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -64.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp 44.27 88.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -146.63 34.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.59 32.79 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.9 m -85.52 150.69 54.55 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 108.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 171.69 17.81 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 14' ' ' LEU . 4.3 p -145.52 -50.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -143.41 -71.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.6 t 45.69 83.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 66.45 86.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -96.32 -72.44 1.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 115.37 4.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.555 1.818 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.1 p -70.58 -57.01 5.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.425 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.58 90.24 0.08 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.3 mp -96.53 54.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 0.804 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 tt -156.99 99.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.29 -60.6 0.66 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -24.44 61.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.8 t -86.66 -17.94 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.97 -37.29 9.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -71.44 -33.41 69.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -64.87 -19.59 65.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.66 ' CE1' ' CD1' ' A' ' 33' ' ' PHE . 29.6 t80 -95.0 -34.1 12.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -18.75 13.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -106.22 -37.32 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -17.66 58.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.66 ' CD1' ' CE1' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -91.09 6.18 45.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.93 61.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.964 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 36' ' ' GLY . 72.7 mt -135.3 -94.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.442 ' N ' HG22 ' A' ' 35' ' ' ILE . . . 161.16 -167.01 35.95 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 38' ' ' CYS . 1.7 mtt180 164.47 -29.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER 162.87 -54.03 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.294 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.3 Cg_endo -74.98 102.41 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.547 1.814 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 41' ' ' LEU . 5.1 mt -85.4 -87.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' N ' HG22 ' A' ' 40' ' ' ILE . 7.0 tp -58.21 -59.3 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -169.97 -62.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 m -157.04 -60.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.398 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 1.034 ' O ' ' OXT' ' A' ' 49' ' ' SER . 57.5 tt0 -177.12 64.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.33 -161.68 12.73 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -56.65 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.6 m -151.09 105.0 3.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.417 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 t 62.17 149.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.298 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 1.034 ' OXT' ' O ' ' A' ' 44' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 1.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mtt . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.507 0.194 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.51 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 11.4 p -106.57 43.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 2' ' ' VAL . . . 175.26 86.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.83 -65.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.26 89.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -74.88 -58.39 3.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.37 -68.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tp -170.95 -67.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.49 -51.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.64 44.18 3.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.69 80.64 0.56 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 108.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -66.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.777 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.3 t -144.51 -59.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tp -137.53 -58.58 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.448 ' OG ' ' NE2' ' A' ' 16' ' ' GLN . 3.7 t 77.65 -57.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.448 ' NE2' ' OG ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -164.71 92.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -105.11 -74.39 0.95 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -175.51 2.39 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.0 m -67.94 -61.44 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.1 111.81 3.6 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 mt -152.62 71.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.67 -66.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.44 -26.02 69.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -27.95 62.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 0.774 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.5 t -79.81 -19.98 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.4 -60.9 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -51.29 -54.31 27.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.649 HG22 HD12 ' A' ' 32' ' ' LEU . 80.8 m -42.35 -60.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -63.36 -40.86 98.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -20.94 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.39 -51.62 2.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 28' ' ' THR . 0.5 OUTLIER -50.19 -30.29 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -44.86 -39.82 5.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 t -148.66 93.81 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.3 pt -108.91 -26.74 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -127.64 -136.11 4.22 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 mtm-85 -109.94 -25.17 10.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.786 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 176.94 66.59 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.267 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 100.92 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.453 1.765 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mm -58.39 -90.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.5 tp -114.07 55.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 47.68 55.9 7.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.475 ' O ' HG22 ' A' ' 43' ' ' THR . 52.8 m 60.18 50.29 6.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.426 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.17 27.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.45 -171.08 4.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.103 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.53 30.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 t -75.14 -35.94 61.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.369 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.4 m 62.73 149.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 108.268 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 1.0 109.967 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.514 0.197 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.2 m -137.01 60.26 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -179.29 132.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.69 64.81 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.87 -61.61 2.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.34 79.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.93 -70.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp 44.78 85.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 10' ' ' SER . 3.4 mmt180 -152.7 -72.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER 84.47 -8.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t 57.07 87.13 0.15 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 108.297 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -22.25 14.98 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 9.3 p -91.83 -16.4 7.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER 87.06 -48.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.9 t 44.25 79.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.42 -46.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.21 -63.27 1.74 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -74.99 -89.37 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 3.1 m 79.15 -53.61 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.8 -45.07 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.427 HD11 ' HB3' ' A' ' 18' ' ' PRO . 11.3 mt 67.32 96.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.84 -33.05 73.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.513 ' O ' ' HB3' ' A' ' 26' ' ' ALA . . . -56.41 -17.46 18.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.413 1.071 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.898 ' O ' HG23 ' A' ' 28' ' ' THR . 2.1 tppt? -69.83 -44.62 69.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 25' ' ' VAL . 79.3 t -77.39 -1.2 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.28 -67.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -53.67 -44.75 69.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.333 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.898 HG23 ' O ' ' A' ' 24' ' ' LYS . 23.4 p -38.76 -46.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -65.63 -44.55 86.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' LYS . 2.9 mt-30 -53.37 -20.04 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.487 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 1.4 t80 -109.32 -22.75 11.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.544 HD22 HD11 ' A' ' 35' ' ' ILE . 4.1 mm? -95.56 17.66 14.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -91.11 -20.03 22.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 m -154.24 -45.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.625 ' O ' HG22 ' A' ' 35' ' ' ILE . 3.6 mm 67.36 15.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.48 69.57 1.41 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -150.68 84.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.4 p -143.56 150.66 51.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 108.271 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 122.1 6.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.1 pt -87.55 65.88 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 mp 70.07 63.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.94 63.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.0 t -77.5 -45.97 23.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -149.66 -59.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 117.93 -70.74 0.3 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 169.52 22.44 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.568 1.825 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.4 p -120.47 113.04 19.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 110.41 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 64.69 66.32 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 108.304 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 110.006 179.966 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.516 0.198 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.8 p -164.76 144.72 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.74 131.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.99 -58.78 3.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.66 -59.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -150.59 -56.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.02 -66.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pp -173.76 79.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -148.31 31.91 0.82 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.54 31.5 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.58 149.73 36.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.89 30.79 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.433 1.754 . . . . 0.0 111.003 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.537 ' O ' HG12 ' A' ' 13' ' ' VAL . 38.9 t -92.04 35.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 59.92 71.42 0.58 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.76 -51.36 49.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.92 61.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.55 -75.62 0.2 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 169.42 22.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.571 1.827 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.1 p -144.72 85.25 1.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.71 53.43 1.1 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -141.25 79.41 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -175.94 -55.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.74 -9.99 63.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.91 -16.17 39.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.1 t -106.5 -23.1 4.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.06 -63.22 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -53.69 24.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.5 m -42.54 -59.02 2.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -61.65 -42.24 98.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -50.03 -22.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -109.46 -41.23 4.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -37.76 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -45.97 -47.71 16.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.85 81.05 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.003 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 36' ' ' GLY . 5.6 mm -54.97 -95.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.531 ' N ' HG22 ' A' ' 35' ' ' ILE . . . 71.36 86.16 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER 162.46 -29.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.1 m -127.24 150.74 73.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 108.346 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.462 ' CG ' HG22 ' A' ' 43' ' ' THR . 18.3 Cg_endo -74.98 131.29 14.15 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.482 1.78 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.875 HD13 ' O ' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -96.51 -26.09 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.0 tp -174.22 56.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -167.25 75.93 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.462 HG22 ' CG ' ' A' ' 39' ' ' PRO . 44.1 p -129.08 -45.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -165.53 -47.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -118.55 89.57 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -47.91 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.464 1.77 . . . . 0.0 111.054 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.1 m -84.76 -57.75 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.3 144.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 108.315 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.6 p . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 1.0 109.976 -179.95 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.524 0.202 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.678 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 6.3 p -130.48 155.79 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 2' ' ' VAL . . . 82.83 100.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -43.33 -64.96 0.55 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 61.69 91.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.04 84.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -61.16 -39.26 89.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.484 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER 86.94 104.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.87 -44.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.78 46.26 7.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.7 m 57.71 94.55 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 169.67 22.12 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.516 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 69.6 t -157.31 -45.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.516 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 4.1 tp 88.92 -42.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.7 t 58.32 104.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 39.64 80.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.405 ' HA3' HD23 ' A' ' 14' ' ' LEU . . . -87.79 -68.64 1.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 120.09 5.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.432 1.753 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -78.78 -62.09 1.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -174.56 73.26 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.681 HD23 ' H ' ' A' ' 21' ' ' LEU . 1.3 pt? -96.24 55.82 1.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' VAL . 5.6 tt -164.81 -58.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.28 -27.68 1.85 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -44.62 63.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 22' ' ' LEU . 84.2 t -76.44 -16.01 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -100.08 52.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.55 -54.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.0 m -57.49 -49.73 75.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -68.51 -41.14 80.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -54.6 -19.13 5.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -109.83 -39.85 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.493 HD13 HD11 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -58.02 -38.3 75.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -55.54 -60.23 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -98.81 68.51 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.493 HD11 HD13 ' A' ' 32' ' ' LEU . 27.3 mm -40.67 -30.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' SER . . . 100.79 88.97 2.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.28 25.83 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -74.48 -54.02 3.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 108.312 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.2 Cg_endo -75.01 -43.18 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.459 ' CG2' HD23 ' A' ' 41' ' ' LEU . 2.0 tp -40.93 -38.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.459 HD23 ' CG2' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -129.82 69.04 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.36 -64.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.8 t -162.25 -47.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.388 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -170.31 81.14 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.28 159.83 27.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 169.77 21.87 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.8 m -72.84 84.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.368 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -113.85 139.03 49.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 109.974 179.989 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.474 ' O ' HG12 ' A' ' 2' ' ' VAL . 26.3 mtm . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.487 0.184 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 1' ' ' MET . 10.7 p 43.87 32.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -158.9 -142.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -171.47 -59.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -170.13 55.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 39.16 57.35 2.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -169.36 79.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 mp -81.15 -68.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -176.13 43.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.9 38.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.6 p -143.36 66.89 16.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 108.306 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -65.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 4.3 p -174.49 -40.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.513 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER 88.66 -43.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.5 t 48.9 48.64 20.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -165.63 48.14 0.09 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -105.36 -76.62 1.07 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -64.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -159.49 -62.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.32 101.94 2.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.65 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -97.78 40.47 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -135.09 -65.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . -59.43 -21.65 54.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.14 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -72.92 -22.37 60.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.38 -30.4 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.03 55.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.2 OUTLIER -178.35 -41.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.5 m -75.13 -39.68 60.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -67.29 -38.79 85.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -13.08 25.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.41 -48.82 3.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.2 -31.52 53.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -45.34 -26.76 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.5 p -67.59 -94.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 pp -42.61 -30.9 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.47 ' O ' ' CD ' ' A' ' 37' ' ' ARG . . . 44.3 89.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CD ' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -172.66 94.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.316 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -167.0 68.59 0.96 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 108.274 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 82.07 2.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.781 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.8 pt -93.07 -31.48 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.76 -50.83 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.08 64.13 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.3 t -86.19 -29.69 23.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -155.49 60.18 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.76 -164.97 19.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.03 4.76 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 m -124.08 133.05 53.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.5 m -87.14 -62.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 108.253 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 1.0 110.024 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.526 0.203 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.727 HG13 ' N ' ' A' ' 3' ' ' ALA . 1.2 p -165.7 -157.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.727 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -158.83 -142.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.74 -60.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.52 89.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.4 ttt -152.35 68.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.429 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 1.5 mt -91.53 -54.23 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.429 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER 83.0 58.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -174.0 -42.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER 39.44 37.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' SER . 0.1 OUTLIER 62.0 147.62 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -169.75 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 14' ' ' LEU . 7.2 p -146.18 -47.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -66.16 -68.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 m 39.51 89.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.974 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 65.38 95.77 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -96.83 -71.35 1.06 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.8 13.89 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.4 m -136.76 -60.06 0.7 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.21 111.7 0.75 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.547 1.155 . . . . 0.0 111.052 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.54 77.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 tt -173.75 107.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.24 -59.76 0.53 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -29.11 66.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.2 t -80.5 -26.55 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -71.42 -63.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 -53.84 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -49.95 -44.26 50.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' ALA . 1.7 t80 -87.01 12.64 10.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.038 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -115.1 -6.8 12.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -107.62 -40.51 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.54 -28.96 68.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.13 -16.68 34.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.73 43.11 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.4 pt -107.74 -29.79 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.41 -125.74 2.98 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' O ' ' CB ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER 166.85 -30.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.491 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER 165.33 -54.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.276 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.3 Cg_endo -74.99 59.49 5.2 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.544 1.813 . . . . 0.0 111.008 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.2 pt -74.74 -24.42 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tp -110.64 -64.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.17 -61.79 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -173.54 -39.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -179.32 -40.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 142.9 96.96 0.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -37.17 2.12 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -39.54 147.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.372 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m 66.98 88.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 110.005 179.981 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.552 ' HG3' HG23 ' A' ' 2' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.497 0.189 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.668 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 68.4 t 60.92 150.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 2' ' ' VAL . . . 82.57 61.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.578 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -95.09 -51.59 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 4' ' ' ALA . . . 75.95 97.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.6 mtt -87.82 38.74 0.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -91.48 45.36 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -81.48 54.76 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -176.08 37.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.44 42.22 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.946 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -139.33 150.64 64.9 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 108.311 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.65 35.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.87 -47.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.33 54.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.9 t -76.07 56.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.458 ' CA ' ' HA3' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -159.39 34.88 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -110.84 -74.59 0.76 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.12 9.29 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.3 p -136.79 -45.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.458 ' HA3' ' CA ' ' A' ' 16' ' ' GLN . . . -46.14 -58.07 5.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 70.05 97.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 0.785 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -59.79 -40.44 88.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.31 -35.97 56.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -70.11 -36.89 75.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.766 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.4 t -79.09 -21.76 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.96 -59.17 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.26 -58.4 6.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.45 HG22 HD12 ' A' ' 32' ' ' LEU . 8.2 m -39.61 -61.46 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -63.32 -43.39 97.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -56.04 -19.33 12.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -108.93 -18.59 13.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.45 HD12 HG22 ' A' ' 28' ' ' THR . 76.8 mt -104.59 17.84 23.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -83.44 -49.31 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.32 66.08 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 tt -64.59 -29.01 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -128.17 -133.47 3.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -153.31 54.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -179.96 68.17 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 108.259 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 99.64 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.435 1.755 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 40' ' ' ILE . 26.8 mt -127.4 44.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 41.93 63.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 47.89 94.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.6 m -49.45 -65.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 175.51 55.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.14 164.53 13.15 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.2 14.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.438 ' O ' ' CB ' ' A' ' 48' ' ' CYS . 7.1 m -105.31 75.79 1.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 47' ' ' THR . 0.1 OUTLIER 82.92 -62.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 108.292 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 110.015 -179.977 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.48 0.181 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.62 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 67.0 t -88.49 145.02 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 2' ' ' VAL . . . 79.66 136.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.66 87.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.26 -61.22 2.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.6 mmt 56.48 71.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp -89.63 -22.73 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp -81.48 55.28 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.89 44.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.26 48.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -68.35 150.65 97.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.14 8.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 111.061 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.42 HG13 HD23 ' A' ' 14' ' ' LEU . 13.1 p -163.66 -45.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD23 HG13 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -155.58 77.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -143.84 80.41 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 72.42 47.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.03 -76.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -49.8 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.5 p -145.56 85.42 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.71 69.17 0.32 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 mp 41.3 67.18 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -178.48 -38.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . -81.42 -17.66 70.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.77 -14.83 59.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.8 t -112.84 -11.62 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.29 44.61 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -169.87 -42.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.517 HG22 HD12 ' A' ' 32' ' ' LEU . 43.5 m -64.56 -44.92 89.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -37.05 84.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.046 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -17.83 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -109.07 -26.11 10.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.517 HD12 HG22 ' A' ' 28' ' ' THR . 75.0 mt -99.75 24.01 8.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -98.27 -33.52 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.8 p -67.08 -59.9 3.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -45.15 -92.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.89 -136.71 28.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -155.21 -44.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -42.67 -54.12 8.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 108.271 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.4 Cg_endo -74.99 -168.5 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.453 1.764 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.1 mm 46.25 46.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.1 tp -148.13 -64.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -175.04 70.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 t -90.61 -7.15 53.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -165.78 50.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.34 88.96 0.42 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.433 1.083 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.37 9.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.56 1.821 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.3 p -136.47 135.67 38.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.426 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.1 m 55.74 97.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 108.266 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 1.0 110.015 179.952 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ptt? . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.528 0.204 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 4' ' ' ALA . 35.6 m -130.9 155.24 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.9 75.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.705 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -102.49 60.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 4' ' ' ALA . . . 85.07 -48.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 46.95 65.35 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.63 HD23 ' HG2' ' A' ' 9' ' ' ARG . 13.2 tp -145.18 -50.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp 65.94 101.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.63 ' HG2' HD23 ' A' ' 7' ' ' LEU . 6.5 ptt180 -163.49 48.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.25 -50.76 3.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.8 m -67.26 150.4 97.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.315 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.76 10.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.596 ' O ' HG12 ' A' ' 13' ' ' VAL . 50.7 t 62.1 34.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.88 -63.24 0.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 t -163.66 -60.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.946 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -164.32 -46.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.69 -63.78 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.01 -15.27 20.8 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 3.1 m 79.16 -53.55 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.87 -57.33 0.31 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.567 1.167 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.03 58.2 2.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tp -144.13 -68.63 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.06 -26.63 58.69 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.556 1.16 . . . . 0.0 111.023 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -73.15 -17.97 61.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 0.782 . . . . 0.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.84 -28.35 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -74.14 -56.78 4.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.56 -45.25 2.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.9 m -57.91 -48.16 80.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 26' ' ' ALA . 9.3 t80 -68.88 -33.77 74.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -61.97 -13.84 29.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.25 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -110.04 -43.23 4.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.4 mt -56.05 -39.82 72.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -55.84 -34.15 65.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.75 60.49 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.6 tt -99.91 -31.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.61 125.15 7.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.31 87.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.252 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -97.88 150.35 36.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.278 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -167.67 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.786 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.2 mm 70.0 -61.34 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.496 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -83.31 -72.95 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 41' ' ' LEU . . . 71.14 -61.49 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 43' ' ' THR . 4.1 t -176.68 62.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.03 -70.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.91 157.78 34.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.48 41.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.1 t -82.78 127.76 33.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.449 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.98 118.19 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.301 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 1.0 110.013 -179.979 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.513 0.197 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.8 p -70.86 156.34 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 44.29 91.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.66 -56.38 7.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.4 -67.74 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -176.05 -62.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -162.42 -72.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp 50.2 79.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.87 90.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.97 -58.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 44.53 77.36 0.45 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 108.287 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 162.58 36.8 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.524 1.802 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.1 t -91.67 -49.15 13.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 76.73 50.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -57.49 3.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -140.39 63.15 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.85 -74.09 1.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -49.37 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.5 1.79 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.567 ' O ' HG22 ' A' ' 19' ' ' THR . 29.0 m 62.18 24.56 14.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.419 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.7 -66.74 0.71 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.75 -102.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 tt 44.85 90.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.85 -58.0 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -69.94 -16.84 63.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 t -89.76 -18.7 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.68 -44.3 9.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -61.73 -58.81 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 29' ' ' TYR . 3.9 t -39.53 -46.04 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.413 ' N ' ' CG2' ' A' ' 28' ' ' THR . 4.3 m-85 -63.91 -42.15 97.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -55.28 -18.82 6.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -109.49 -47.28 3.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -50.97 -33.2 23.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -54.99 -18.01 4.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.07 95.51 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.411 HG23 ' O ' ' A' ' 31' ' ' PHE . 1.1 pp -140.3 -47.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.59 170.01 28.96 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.59 81.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.466 ' CB ' ' HD3' ' A' ' 39' ' ' PRO . 0.1 OUTLIER 171.12 -56.17 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 108.322 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 38' ' ' CYS . 18.3 Cg_endo -75.02 89.82 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.9 mt -66.57 -33.27 62.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.18 64.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -162.75 84.93 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 t -65.78 -44.41 85.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -135.95 -58.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.18 -154.31 33.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 73.66 4.27 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 p 38.92 61.84 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 58.63 88.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 108.355 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.4 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 1.0 110.011 -179.968 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttm . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.484 0.183 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.9 m -137.35 58.16 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -158.84 -142.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.89 -61.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.03 -54.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.0 ptt? 37.95 35.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.0 -59.88 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 mt 65.76 100.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -175.23 43.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 m -165.82 51.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.7 m -141.55 150.32 57.09 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.292 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.08 40.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.3 t -143.92 -57.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' O ' ' CB ' ' A' ' 15' ' ' SER . 2.8 mt -137.3 -61.49 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 4.8 t 78.31 -57.65 0.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.107 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -131.09 70.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -120.82 -77.34 0.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 66.46 5.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.779 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.3 m -137.5 -59.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.38 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.667 ' H ' HD13 ' A' ' 21' ' ' LEU . . . 138.26 60.99 0.05 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.667 HD13 ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -98.07 47.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 26' ' ' ALA . 6.2 tp -132.16 -60.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.29 -43.19 97.45 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.448 1.093 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -71.4 -16.76 62.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.8 t -96.94 -20.92 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . -70.93 -60.78 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -48.83 56.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.584 ' O ' HD12 ' A' ' 32' ' ' LEU . 16.9 m -45.31 -58.05 3.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -63.18 -37.1 85.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -17.35 17.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.86 -31.99 7.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 28' ' ' THR . 2.4 mp -96.7 23.2 7.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -87.62 -57.2 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.423 ' O ' HD13 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -77.28 56.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 36' ' ' GLY . 25.9 mm -115.18 -95.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.45 ' N ' HG22 ' A' ' 35' ' ' ILE . . . -112.97 126.73 7.61 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 166.63 -30.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.301 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.3 p -145.04 150.51 45.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.332 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 75.51 3.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 tt -59.42 -29.88 43.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.628 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.7 pp -158.35 67.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 48.72 73.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 m -72.59 -62.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 179.28 69.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.093 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.22 94.7 0.1 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.68 22.08 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.474 1.776 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m 57.03 104.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.372 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -85.78 -62.33 1.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.315 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 1.0 109.996 179.968 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtp . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.451 0.167 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.3 t 62.16 119.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 44.86 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -41.27 -60.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 9' ' ' ARG . . . 65.8 92.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.408 ' O ' ' CB ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -174.87 82.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER 81.33 96.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER 86.79 56.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' CB ' ' HA ' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -152.72 26.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.39 55.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.1 m -150.49 150.78 29.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.337 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -170.76 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 14' ' ' LEU . 7.7 p -148.13 -51.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' N ' HG13 ' A' ' 13' ' ' VAL . 15.8 tp -148.93 72.19 1.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.0 t -94.38 60.07 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 61.5 66.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.15 -69.77 1.22 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.483 1.115 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.493 ' O ' HG22 ' A' ' 19' ' ' THR . 18.5 Cg_endo -74.94 -48.16 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.519 ' O ' HG23 ' A' ' 19' ' ' THR . 0.5 OUTLIER 65.57 10.35 6.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.393 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.65 16.58 56.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.2 mt -97.58 56.42 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -129.42 -61.88 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.93 -20.82 62.76 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -21.7 62.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.612 ' O ' HG22 ' A' ' 28' ' ' THR . 94.0 t -86.14 -22.55 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.15 -45.96 11.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' GLN . 11.1 mtmt -56.82 -50.46 72.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 25' ' ' VAL . 6.6 t -46.2 -26.36 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.395 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -90.61 -32.37 16.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 27' ' ' LYS . 5.9 tm0? -67.69 -8.96 39.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -110.09 -39.82 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -16.42 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.4 9.16 24.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.25 65.53 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.3 pt -110.54 -29.33 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.85 91.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' O ' ' CB ' ' A' ' 38' ' ' CYS . 6.6 tpt85 -177.55 98.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER 165.93 -54.02 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.264 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 38' ' ' CYS . 18.1 Cg_endo -75.02 125.01 9.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.595 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -104.24 65.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 45.83 58.78 4.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -175.65 -75.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.609 HG22 ' HG2' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -158.13 -63.14 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.425 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.609 ' HG2' HG22 ' A' ' 43' ' ' THR . 2.6 pt20 174.85 -34.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.96 -166.62 18.89 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.113 . . . . 0.0 111.025 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.656 ' HG2' ' O ' ' A' ' 49' ' ' SER . 18.3 Cg_endo -75.03 166.05 30.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.561 1.822 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.5 p -64.47 -56.69 12.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -122.46 146.35 47.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.656 ' O ' ' HG2' ' A' ' 46' ' ' PRO . 47.5 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 1.0 110.026 -179.978 . . . . . . . . 1 1 . 1 stop_ save_